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2-(Methylthio)-2-phenylpropanal
SpectraBase Compound ID LWvRPZYwzjF
InChI InChI=1S/C10H12OS/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey DPBMRAWMFLMLLI-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgUA0OP5Bzt
Name 2-(Methylthio)-2-phenylpropanal
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey DPBMRAWMFLMLLI-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(c1ccccc1)(C=O)(SC)C
SPLASH splash10-0udi-0900000000-21f23781baff7dd1a1cd
Source of Spectrum F-67-2311-0
Synonyms 2-methylsulfanyl-2-phenylpropanal 2-methylsulfanyl-2-phenyl-propanal
Wiley ID 1686017