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1H-Indole-2-acetic acid, 1-methyl-3-(methylthio)-
SpectraBase Compound ID Hstw9icWuUK
InChI InChI=1S/C12H13NO2S/c1-13-9-6-4-3-5-8(9)12(16-2)10(13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey WQWDWRNNBRSVMJ-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjtS2WIyuqz
Name 1H-Indole-2-acetic acid, 1-methyl-3-(methylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-13-9-6-4-3-5-8(9)12(16-2)10(13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKey WQWDWRNNBRSVMJ-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES OC(=O)Cc1[n](c2ccccc2c1SC)C
SPLASH splash10-0f9l-3940000000-6051eebb52647a9a7552
Source of Spectrum IY-1-4401-6
Synonyms 2-[1-methyl-3-(methylthio)-2-indolyl]acetic acid 2-(1-Methyl-3-methylsulfanylindol-2-yl)acetic acid 2-(1-Methyl-3-methylsulfanyl-indol-2-yl)acetic acid 2-(1-Methyl-3-methylsulfanyl-indol-2-yl)ethanoic acid
Wiley ID 1651999