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Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester
SpectraBase Compound ID K47am3yCNW6
InChI InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
InChIKey QYKQWFZDEDFELK-UHFFFAOYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C11H12N2S2
Exact Mass 236.044191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6C2eoGuJpiN
Name Carbamodithioic acid, (1H-indol-3-ylmethyl)-, methyl ester
CAS Registry Number 105748-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2S2
InChI InChI=1S/C11H12N2S2/c1-15-11(14)13-7-8-6-12-10-5-3-2-4-9(8)10/h2-6,12H,7H2,1H3,(H,13,14)
InChIKey QYKQWFZDEDFELK-UHFFFAOYSA-N
Molecular Weight 236.351 g/mol
SMILES [nH]1c2c(c(CNC(=S)SC)c1)cccc2
SPLASH splash10-001i-0940000000-8ca51907c84890075d07
Source of Spectrum AJ-61-288-2
Synonyms Brassinin Brassinine Methyl (1H-indol-3-ylmethyl)carbamodithioate Methyl N-(1H-indol-3-ylmethyl)carbamodithioate N-(1H-indol-3-ylmethyl)carbamodithioic acid methyl ester CCRIS 7485
Wiley ID 1237749