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Pentyl 3-(methylsulfanyl)propanoate
SpectraBase Compound ID AWNygXg2NU9
InChI InChI=1S/C9H18O2S/c1-3-4-5-7-11-9(10)6-8-12-2/h3-8H2,1-2H3
InChIKey VSCXQPTWKZWPQB-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C9H18O2S
Exact Mass 190.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vgOoGBgxFH
Name Pentyl 3-(methylsulfanyl)propanoate
CAS Registry Number 93762-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2S
InChI InChI=1S/C9H18O2S/c1-3-4-5-7-11-9(10)6-8-12-2/h3-8H2,1-2H3
InChIKey VSCXQPTWKZWPQB-UHFFFAOYSA-N
Molecular Weight 190.301 g/mol
SMILES CSCCC(=O)OCCCCC
SPLASH splash10-0203-9200000000-4bb8c2f5e452a1d2dd7a
Source of Spectrum VC-1981-532-0
Synonyms 3-(methylthio)propanoic acid pentyl ester 3-(methylthio)propionic acid amyl ester Pentyl 3-(methylthio)propionate Propanoic acid, 3-(methylthio)-, pentyl ester EINECS 297-748-5
Wiley ID 1186303