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Brassitin

View entire compound with spectra: 1 MS (GC)

Brassitin
SpectraBase Compound ID 5FpptWjZ1aT
InChI InChI=1S/C11H12N2OS/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 GHGDPZHQDKPWOJ-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C11H12N2OS
Exact Mass 220.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DpdU4PCqDo
Name Brassitin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2OS
InChI InChI=1S/C11H12N2OS/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 GHGDPZHQDKPWOJ-UHFFFAOYSA-N
Molecular Weight 220.290 g/mol
SMILES [nH]1c2c(c(CNC(=O)SC)c1)cccc2
SPLASH splash10-001i-0940000000-73f4ce7db7058d0449ab
Source of Spectrum AF-49-689-21
Synonyms N-(1H-indol-3-ylmethyl)carbamothioic acid S-methyl ester S-methyl N-(1H-indol-3-ylmethyl)carbamothioate
Wiley ID 1694245