-
4-methylbenzenesulfonamide Molecule
InChIKey LMYRWZFENFIFIT-UHFFFAOYSA-N Molecular Formula C7H9NO2S
Related Dataset(s)
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 45; R=35000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- p-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- p-Toluenesulfonamide; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
- p-Toluenesulfonamide; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
- p-Toluenesulfonamide; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- PATA-TOLUENESULFONAMIDE; EI-B; MS
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 15; R=35000; [M-H]-
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 120; R=35000; [M-H]-
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- correlation spectroscopy (COSY)
- P-TOLUENESULFONAMIDE; EI-B; MS
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 60; R=35000; [M-H]-
- p-Toluenesulfonamide; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 180; R=35000; [M-H]-
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
- p-Toluenesulfonamide; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
- p-Toluenesulfonamide; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 180; R=35000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 150; R=35000; [M-H]-
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 60; R=35000; [M+H]+
- 4-Toluenesulfonamide; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+
-
4-methylbenzenesulfonohydrazide Molecule
InChIKey ICGLPKIVTVWCFT-UHFFFAOYSA-N Molecular Formula C7H10N2O2S
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
4-methylpyrimidin-2-amine Molecule
InChIKey GHCFWKFREBNSPC-UHFFFAOYSA-N Molecular Formula C5H7N3
Related Dataset(s)
-
4-propan-2-ylaniline Molecule
InChIKey LRTFPLFDLJYEKT-UHFFFAOYSA-N Molecular Formula C9H13N
Related Dataset(s)
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 4-Isopropylaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-QTOF; MS2; CE: Ramp 15.7-23.5 eV; R=35000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
- 4-Isopropylaniline; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
- 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
-
5,5-dimethyl-2-(4-propylphenyl)-1,3,2-dioxaborinane Molecule
InChIKey DMVXUZLIMSBAIZ-UHFFFAOYSA-N Molecular Formula C14H21BO2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- electrospray ionisation mass spectrometry (ESMS)
-
5-(2-methyloctan-2-yl)benzene-1,3-diol Molecule
InChIKey GWBGUJWRDDDVBI-UHFFFAOYSA-N Molecular Formula C15H24O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
5-(6-bromo-1H-indol-4-yl)nonan-5-ol Molecule
InChIKey IPVPMKZYBAWPHP-UHFFFAOYSA-N Molecular Formula C17H24BrNO
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
5-(chloromethyl)-1,2,3-trimethoxybenzene Molecule
InChIKey XXRUQNNAKXZSOS-UHFFFAOYSA-N Molecular Formula C10H13ClO3
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
5-[(4-methylsulfanylphenyl)methyl]-4-(trifluoromethyl)-4H-tetrazolo[1,5-a]qui... Molecule
InChIKey DHHRAEFWQYGCKX-UHFFFAOYSA-N Molecular Formula C17H14F3N5S
Related Dataset(s)
- mass spectrometry (MS)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
5-[(E)-[di(propan-2-yl)amino]diazenyl]-1-propan-2-ylpyrazole-4-carbonitrile Molecule
InChIKey IJEPRRMQECALCS-WUKNDPDISA-N Molecular Formula C13H22N6
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- fast-atom bombardment mass spectrometry (FABMS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
5-[4,5-bis[5-[2-(4,5-dithiophen-2-ylthiophen-2-yl)ethynyl]thiophen-2-yl]thiop... Molecule
InChIKey IUHMCMOAPIXMPK-UHFFFAOYSA-N Molecular Formula C80H38S18
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
5-aminobenzene-1,3-dicarboxylic acid Molecule
InChIKey KBZFDRWPMZESDI-UHFFFAOYSA-N Molecular Formula C8H7NO4
Related Dataset(s)
-
5-bromo-1,2,3,4-tetrahydroisoquinoline Molecule
InChIKey IZCCDTQAIOPIGY-UHFFFAOYSA-N Molecular Formula C9H10BrN
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
-
5-bromo-2-hydroxy-3-methyl-6-propan-2-ylbenzaldehyde Molecule
InChIKey HKSXVOUAEWPBKY-UHFFFAOYSA-N Molecular Formula C11H13BrO2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- elemental analysis (EA)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- infrared absorption spectroscopy (IR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
5-bromo-6-(cyclopropylmethoxy)-1H-indole Molecule
InChIKey KIRAXAMYQAXCQC-UHFFFAOYSA-N Molecular Formula C12H12BrNO
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
5-bromoisoindole-1,3-dione Molecule
InChIKey GNYICZVGHULCHE-UHFFFAOYSA-N Molecular Formula C8H4BrNO2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
-
5-bromothiophene-2-carboxylic acid Molecule
InChIKey COWZPSUDTMGBAT-UHFFFAOYSA-N Molecular Formula C5H3BrO2S
Related Dataset(s)
-
5-pentylbenzene-1,3-diol Molecule
InChIKey IRMPFYJSHJGOPE-UHFFFAOYSA-N Molecular Formula C11H16O2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
5-prop-2-enyl-4-(trifluoromethyl)-4H-tetrazolo[1,5-a]quinoxaline Molecule
InChIKey LXUHXXCBFNKYIB-UHFFFAOYSA-N Molecular Formula C12H10F3N5
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- mass spectrometry (MS)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
-
6-(2,5-dimethylpyrrol-1-yl)-1H-indole Molecule
InChIKey ZICYXHGTWSBXCC-UHFFFAOYSA-N Molecular Formula C14H14N2
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
