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(1-benzyl-2-phenylindol-3-yl)-(2,3,4,5,6-pentafluorophenyl)methanone Molecule
InChIKey JSFGZCLKZHTGQA-UHFFFAOYSA-N Molecular Formula C28H16F5NO
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- mass spectrometry (MS)
- diffraction method (crystallography)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- ultraviolet-visible spectrophotometry (UV-VIS)
- distortionless enhancement with polarization transfer (DEPT)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
- heteronuclear multiple bond coherence (HMBC)
- heteronuclear single quantum coherence (HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
-
(1-benzyl-2-phenylindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone Molecule
InChIKey UWXZJIWLWRKQHS-UHFFFAOYSA-N Molecular Formula C29H20F3NO
Related Dataset(s)
- 19F nuclear magnetic resonance spectroscopy (19F NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- infrared absorption spectroscopy (IR)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
-
(1-quinoxalin-2-yltriazol-4-yl)methanol Molecule
InChIKey YEBFONFGCJEMAG-UHFFFAOYSA-N Molecular Formula C11H9N5O
Related Dataset(s)
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(1-quinoxalin-2-yltriazol-4-yl)methyl acetate Molecule
InChIKey DGJCBVVQEVQILV-UHFFFAOYSA-N Molecular Formula C13H11N5O2
Related Dataset(s)
-
(1-quinoxalin-2-yltriazol-4-yl)methyl prop-2-enoate Molecule
InChIKey XJHPHMLSCVFADT-UHFFFAOYSA-N Molecular Formula C14H11N5O2
Related Dataset(s)
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(17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyc... Molecule
InChIKey QXKRUGDXPWHXHL-UHFFFAOYSA-N
Related Dataset(s)
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[7]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[6]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[4]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[5]
- S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[3]
-
(17-acetyloxy-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1... Molecule
InChIKey VZZVDHGDRPQCMC-UHFFFAOYSA-N
Related Dataset(s)
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[1]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[8]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[5]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[4]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[3]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[6]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[2]
- 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[7]
-
(17-acetyloxy-5-bromo-6-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16... Molecule
InChIKey QUFXCTFKQBQMQC-UHFFFAOYSA-N
Related Dataset(s)
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[1]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[3]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hsqc
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[5]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.noesy
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[4]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[2]
- S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
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(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-pro... Molecule
InChIKey MQYXUWHLBZFQQO-QGTGJCAVSA-N Molecular Formula C30H50O
Related Dataset(s)
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_qH.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data.dept
- Lupeol 900MHz 400MHz CDCl3 NMR data[4_Lupeol_HSQC]
- Lupeol 900MHz 400MHz CDCl3 NMR data[2_Lupeol_gcosy]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_HSQC.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gHSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.hmbc
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_q1H.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[1_Lupeol_1H]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.2d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdf]
- Lupeol 900MHz 400MHz CDCl3 NMR data[3_Lupeol_13CdeptQ]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_400_HSQC.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data.1d
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_gCOSY.jdx]
- Lupeol 900MHz 400MHz CDCl3 NMR data[Lupeol_LUPE01_13C.jdx]
-
(2,2-dimethylchromen-6-yl)methanol Molecule
InChIKey QNBPDVUHGIPLIS-UHFFFAOYSA-N Molecular Formula C12H14O2
Related Dataset(s)
- infrared absorption spectroscopy (IR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(2-acetyl-3-acetyloxyphenyl) acetate Molecule
InChIKey BQSKGNHSFVZDGZ-UHFFFAOYSA-N Molecular Formula C12H12O5
Related Dataset(s)
- heteronuclear multiple bond coherence (HMBC)
- correlation spectroscopy (COSY)
- distortionless enhancement with polarization transfer (DEPT)
- infrared absorption spectroscopy (IR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- heteronuclear single quantum coherence (HSQC)
- mass spectrometry (MS)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
-
(2-aminophenyl)-pyridin-4-ylmethanone Molecule
InChIKey MOPYXHGIWARXCY-UHFFFAOYSA-N Molecular Formula C12H10N2O
Related Dataset(s)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- electron ionisation mass spectrometry (EI-MS)
- infrared absorption spectroscopy (IR)
- distortionless enhancement with polarization transfer (DEPT)
-
(2-formyl-3,5-dihydroxyphenyl) benzoate Molecule
InChIKey NQGFNZGQTUVDDL-UHFFFAOYSA-N Molecular Formula C14H10O5
Related Dataset(s)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-prop-2-enoxypentanoic acid Molecule
InChIKey LRBARFFNYOKIAX-HXUWFJFHSA-N Molecular Formula C23H23NO6
Related Dataset(s)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(prop-2-enoxycarbonylamino)hex... Molecule
InChIKey OJBNDXHENJDCBA-JOCHJYFZSA-N Molecular Formula C25H28N2O6
Related Dataset(s)
- 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)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear correlation spectroscopy (1H-13C COSY)
-
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid Molecule
InChIKey VCFCFPNRQDANPN-LJQANCHMSA-N Molecular Formula C21H23NO4
Related Dataset(s)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
-
(2R)-6-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-... Molecule
InChIKey ZPSRBXWVBNVFTO-RUZDIDTESA-N Molecular Formula C31H36N2O6
Related Dataset(s)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- distortionless enhancement with polarization transfer (DEPT)
-
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol Molecule
InChIKey BPHPUYQFMNQIOC-NXRLNHOXSA-N Molecular Formula C9H18O5S
Related Dataset(s)
- 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
- 1H--1H correlation spectroscopy (1H-1H COSY)
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- distortionless enhancement with polarization transfer (DEPT)
- distortionless enhancement with polarization transfer (DEPT)
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
-
(2S)-2-amino-3-hydroxypropanoic acid Molecule
InChIKey MTCFGRXMJLQNBG-REOHCLBHSA-N Molecular Formula C3H7NO3
Related Dataset(s)
- L-Serine; GC-EI-TOF; MS; 2 TMS; n TMS; RT:416.207 sec
- L-Serine; EI-B; MS; 2 TMS; RT: 440.66 s
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
- distortionless enhancement with polarization transfer (DEPT)
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.04; NEG
- L-Serine; LC-ESI-ITFT; MS2; m/z:104.07; POS
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:73
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; n TMS; RT:472.656 sec
- L-Serine; LC-ESI-QTOF; MS2; CE: 10; R=; [M+H]+
- L-Serine; GC-EI-TOF; MS; 3 TMS; BP:204
- L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec
- L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
- L-Serine; LC-ESI-QTOF; MS2; CE: 40; R=; [M+H]+
- L-Serine; LC-ESI-ITFT; MS; POS
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
- 1H--1H correlation spectroscopy (1H-1H COSY)
- L-Serine; EI-B; MS; 3 TMS; RT: 506.89 s
- L-Serine; LC-ESI-ITFT; MS2; m/z:106.05; POS
- L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
- 13C nuclear magnetic resonance spectroscopy (13C NMR)
- L-Serine; CE-ESI-TOF; MS; [M+H]+
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
- 1H nuclear magnetic resonance spectroscopy (1H NMR)
- 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
- L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
- L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
-
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(hydroxymethyl)-4-phenylmethoxyoxane-3,5-diol Molecule
InChIKey QZYDYKUQPIMRSF-ZSAUSMIDSA-N Molecular Formula C15H22O5S
Related Dataset(s)
