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2-Methyl-3-(phenylsulfanyl)propanal
SpectraBase Compound ID LEeq5dot52S
InChI InChI=1S/C10H12OS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKey SMEGYJOSARNLFG-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 Dl1FVXRYNOH
Name 2-Methyl-3-(phenylsulfanyl)propanal
CAS Registry Number 56102-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-9(7-11)8-12-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKey SMEGYJOSARNLFG-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES C(Sc1ccccc1)C(C=O)C
SPLASH splash10-03di-4900000000-2620d5647f9c79fe3c80
Source of Spectrum C-99-3084-0
Synonyms 2-Methyl-3-(phenylthio)propanal 2-Methyl-3-phenylsulfanylpropanal 2-Methyl-3-phenylsulfanyl-propanal
Wiley ID 1176051