For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Amino-2-(4-methoxybenzoyl)-3-(methylsulfanyl)-2-propenal
SpectraBase Compound ID mnCop0VjXv
InChI InChI=1S/C12H13NO3S/c1-16-9-5-3-8(4-6-9)11(15)10(7-14)12(13)17-2/h3-7H,13H2,1-2H3/b12-10+
InChIKey PMJNJTCOPGMAEO-ZRDIBKRKSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7jGITz94Ouc
Name 3-Amino-2-(4-methoxybenzoyl)-3-(methylsulfanyl)-2-propenal
Alternate Name(s) (E)-3-amino-2-(4-methoxybenzoyl)-3-(methylthio)acrylaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-16-9-5-3-8(4-6-9)11(15)10(7-14)12(13)17-2/h3-7H,13H2,1-2H3/b12-10+
InChIKey PMJNJTCOPGMAEO-ZRDIBKRKSA-N
Molecular Weight 251.300 g/mol
SMILES N\C(=C/(C(c1ccc(cc1)OC)=O)C=O)SC
SPLASH splash10-000i-1910000000-3465ce723daff98f07a9
Source of Spectrum Y-51-564-2c
Wiley ID 1741319