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3-Amino-2-(4-methylbenzoyl)-3-(methylsulfanyl)-2-propenal
SpectraBase Compound ID 8mftqM9YmZf
InChI InChI=1S/C12H13NO2S/c1-8-3-5-9(6-4-8)11(15)10(7-14)12(13)16-2/h3-7H,13H2,1-2H3/b12-10+
InChIKey JCWZAPUVWRPGRI-ZRDIBKRKSA-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 4n9pQdQhqS
Name 3-Amino-2-(4-methylbenzoyl)-3-(methylsulfanyl)-2-propenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-8-3-5-9(6-4-8)11(15)10(7-14)12(13)16-2/h3-7H,13H2,1-2H3/b12-10+
InChIKey JCWZAPUVWRPGRI-ZRDIBKRKSA-N
Molecular Weight 235.301 g/mol
SMILES N\C(=C/(C(c1ccc(cc1)C)=O)C=O)SC
SPLASH splash10-00kf-6940000000-e60f8180fdaadb54cd7e
Source of Spectrum Y-51-564-2b
Synonyms (E)-3-amino-2-(4-methylbenzoyl)-3-(methylthio)acrylaldehyde
Wiley ID 1741388