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2-Methyl-3-(phenylsulfanyl)propanal

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

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 9hm1LZIO2FZ
Name 2-methyl-3-(phenylsulfanyl)propanal
CAS Registry Number 56102-14-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-9(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-0900000000-0addf0b87b1d596cc9f5
Source of Spectrum F-54-2695-17
Synonyms 2-Methyl-3-(phenylthio)propanal 2-methyl-3-phenylsulfanylpropanal 2-methyl-3-phenylsulfanyl-propanal
Wiley ID 806191