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(1,5-dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid
SpectraBase Compound ID C103kticyFP
InChI InChI=1S/C18H17NO2S/c1-12-8-9-15-14(10-12)18(16(19(15)2)11-17(20)21)22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKey RFNMMSVHBUVLOM-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1X9KTjUlxw
Name (1,5-dimethyl-3-phenylsulfanyl-1H-indol-2-yl)-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-12-8-9-15-14(10-12)18(16(19(15)2)11-17(20)21)22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
InChIKey RFNMMSVHBUVLOM-UHFFFAOYSA-N
Molecular Weight 311.399 g/mol
SMILES OC(Cc1c(c2cc(C)ccc2[n]1C)Sc1ccccc1)=O
SPLASH splash10-03xr-2984000000-c130c5607c780e50ce36
Synonyms 2-(1,5-dimethyl-3-phenylsulfanyl-indol-2-yl)acetic acid 2-(1,5-dimethyl-3-phenylsulfanyl-indol-2-yl)ethanoic acid 2-[1,5-dimethyl-3-(phenylthio)-2-indolyl]acetic acid 2-[1,5-dimethyl-3-(phenylthio)indol-2-yl]acetic acid
Wiley ID 1450932