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1H-indole-2-acetic acid, 1-(phenylmethyl)-3-(phenylthio)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-indole-2-acetic acid, 1-(phenylmethyl)-3-(phenylthio)-
SpectraBase Compound ID xyPTTveX6D
InChI InChI=1S/C23H19NO2S/c25-22(26)15-21-23(27-18-11-5-2-6-12-18)19-13-7-8-14-20(19)24(21)16-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,26)
InChIKey DUYDZCXMDIODGM-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C23H19NO2S
Exact Mass 373.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUVixxPuo05
Name 2-(1-benzyl-3-phenylsulfanyl-indol-2-yl)acetic acid
Alternate Name(s) 2-[1-(phenylmethyl)-3-(phenylthio)-2-indolyl]acetic acid 2-[1-(phenylmethyl)-3-phenylsulfanyl-indol-2-yl]ethanoic acid 2-[1-benzyl-3-(phenylthio)indol-2-yl]acetic acid
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Formula C23H19NO2S
InChI InChI=1S/C23H19NO2S/c25-22(26)15-21-23(27-18-11-5-2-6-12-18)19-13-7-8-14-20(19)24(21)16-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,25,26)
InChIKey DUYDZCXMDIODGM-UHFFFAOYSA-N
Molecular Weight 373.470 g/mol
SMILES OC(Cc1[n](c2ccccc2c1Sc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-000f-9472000000-bc943c68677ada7cc0a4
Wiley ID 1450751