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3-(Methylthio)butyraldehyde
SpectraBase Compound ID GKGIxF4BUsn
InChI InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
InChIKey NCBDFIPMWRKPDU-UHFFFAOYSA-N
Mol Weight 118.19 g/mol
Molecular Formula C5H10OS
Exact Mass 118.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2key8EXUD9e
Name 3-(Methylsulfanyl)butanal
CAS Registry Number 16630-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H10OS
InChI InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
InChIKey NCBDFIPMWRKPDU-UHFFFAOYSA-N
Molecular Weight 118.194 g/mol
SMILES CC(CC=O)SC
SPLASH splash10-0005-9000000000-4e2385c6f79bcc58667d
Source of Spectrum JZ-1992-3435-0
Synonyms 3-(Methylthio)butanal 3-Methylthiobutyraldehyde 3-Methylsulfanylbutanal Butanal, 3-(methylthio)- Butyraldehyde, 3-(methylthio)- EINECS 240-678-7 FEMA NO. 3374
Wiley ID 1126336