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(4E)-2-bromo-4-indeno[2,1-b]thiophen-4-ylideneindeno[2,1-b]thiophene Molecule
InChIKey BKIXXIBGPJJRBQ-FMQUCBEESA-N Molecular Formula C22H11BrS2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- electrospray ionisation mass spectrometry (ESMS)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
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(4E)-4-indeno[2,1-b]thiophen-4-ylideneindeno[2,1-b]thiophene Molecule
InChIKey CZUUIWPWZNRIDB-FMQUCBEESA-N Molecular Formula C22H12S2
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- electrospray ionisation mass spectrometry (ESMS)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
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(4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2... Molecule
InChIKey QOMMDHDGIYADCQ-BWTKQZKTSA-N Molecular Formula C15H20O5S
Related Dataset(s)
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(5-bromoindol-1-yl)-tert-butyl-dimethylsilane Molecule
InChIKey WBOWSDFSONZNEE-UHFFFAOYSA-N Molecular Formula C14H20BrNSi
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- electrospray ionisation quadrupole detection (ESI Q Trap)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
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(5-bromopyridin-2-yl)methanamine Molecule
InChIKey AUIXMWKVLPXKGC-UHFFFAOYSA-N Molecular Formula C6H7BrN2
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- distortionless enhancement with polarization transfer (DEPT)
- correlation spectroscopy (COSY)
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(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane Molecule
InChIKey CXNIUSPIQKWYAI-UHFFFAOYSA-N Molecular Formula C39H32OP2
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
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(5-methylpyridin-2-yl)methanamine Molecule
InChIKey NXTVBKWLOZSCQE-UHFFFAOYSA-N Molecular Formula C7H10N2
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear single quantum coherence (HSQC)
- heteronuclear multiple bond coherence (HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
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(6-acetyloxy-13-bromo-5-methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonad... Molecule
InChIKey NZSDFLXRBNYEQL-UHFFFAOYSA-N
Related Dataset(s)
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5.hsqc
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[5]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[1]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[2]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[4]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[3]
- S3-5_SODXXI_090_FULL_OXACYCLE_CLEAN_08_26_2021-CPS3-5[6]
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(6-benzyl-4H-pyrazolo[3,4-d]triazin-3-yl)-phenylmethanone Molecule
InChIKey WJOQJVSLWFMJNK-UHFFFAOYSA-N Molecular Formula C18H15N5O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- fast-atom bombardment mass spectrometry (FABMS)
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(6-cyclopentyl-4H-pyrazolo[3,4-d]triazin-3-yl)-phenylmethanone Molecule
InChIKey JUJUWEBLNYJZJO-UHFFFAOYSA-N Molecular Formula C16H17N5O
Related Dataset(s)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
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(E)-8-bromo-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine Molecule
InChIKey FWRPHJBHZLJZOM-SDNWHVSQSA-N Molecular Formula C12H14BrNO2
Related Dataset(s)
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(Z)-3-difluoroboranyloxy-3-(4-ethoxy-2-phenyl-1,3-thiazol-5-yl)-1-phenylprop-... Molecule
InChIKey WGJYBQWDBMLOLO-LGMDPLHJSA-N Molecular Formula C20H16BF2NO3S
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- fluorescence spectroscopy (fluorimetry)
- ultraviolet-visible spectrophotometry (UV-VIS)
- high-performance liquid chromatography-mass spectrometry (HPLC-MS)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
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(Z)-4-[12-[[(Z)-3-carboxyprop-2-enoyl]amino]dodecylamino]-4-oxobut-2-enoic acid Molecule
InChIKey UIPWBIZIYFFHOR-XSYHWHKQSA-N Molecular Formula C20H32N2O6
Related Dataset(s)
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(Z)-4-[4-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid Molecule
InChIKey OUMVYHHZWFPSFH-SFECMWDFSA-N Molecular Formula C14H12N2O6
Related Dataset(s)
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(Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid Molecule
InChIKey WPUBWLUSKQXZNQ-SFECMWDFSA-N Molecular Formula C14H20N2O6
Related Dataset(s)
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(Z)-4-[[3-[[[(Z)-3-carboxyprop-2-enoyl]amino]methyl]cyclohexyl]methylamino]-4... Molecule
InChIKey BIVYBXKQJWPFNV-PEPZGXQESA-N Molecular Formula C16H22N2O6
Related Dataset(s)
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(Z)-4-[[3-[[[(Z)-3-carboxyprop-2-enoyl]amino]methyl]phenyl]methylamino]-4-oxo... Molecule
InChIKey OOFBGHCVZDGOMM-PEPZGXQESA-N Molecular Formula C16H16N2O6
Related Dataset(s)
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(Z)-4-[[5-[[(Z)-3-carboxyprop-2-enoyl]amino]-1,3,3-trimethylcyclohexyl]methyl... Molecule
InChIKey OSMXVZQQWFMTPK-PEPZGXQESA-N Molecular Formula C18H26N2O6
Related Dataset(s)
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(Z)-N,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-imine Molecule
InChIKey VUWWOMAFWYFFIK-SEYXRHQNSA-N Molecular Formula C12H15NO2
Related Dataset(s)
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1,1-dioxo-1,2-benzothiazol-3-one Molecule
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-N Molecular Formula C7H5NO3S
Related Dataset(s)
- Saccharin; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
- SACCHARIN; EI-B; MS
- Saccharin; LC-ESI-QTOF; MS2; 110 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 70 V
- Saccharin; LC-ESI-QTOF; MS2; 150 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M-H]-
- heteronuclear multiple bond coherence (HMBC)
- Saccharin; LC-ESI-QTOF; MS2; 80 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M-H]-
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 40 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 20 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M-H]-
- correlation spectroscopy (COSY)
- Saccharin; LC-ESI-QTOF; MS2; 60 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M-H]-
- heteronuclear single quantum coherence (HSQC)
- Saccharin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M-H]-
- distortionless enhancement with polarization transfer (DEPT)
- Saccharin; LC-ESI-QTOF; MS2; 90 V
- Saccharin; LC-ESI-QTOF; MS2; 30 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M-H]-
- Saccharin; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 120 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M-H]-
- Saccharin; LC-ESI-QTOF; MS2; 10 V
- Saccharin; LC-ESI-QTOF; MS2; 140 V
- Saccharin; LC-ESI-QTOF; MS2; 100 V
- Saccharin; LC-ESI-QTOF; MS2; 130 V
- Saccharin; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M-H]-
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- Saccharin; LC-ESI-QTOF; MS2; 50 V
- Saccharin; LC-ESI-QTOF; MS2; 40 V
