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Pentyl 3-(methylsulfanyl)propanoate

View entire compound with spectra: 5 MS (GC)

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 Bxc8B7NG8aV
Name PROPANOIC ACID, 3-(METHYLTHIO)-, PENTYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 190.102750992 u
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
Nominal Mass 190 u
Number of Peaks 102
SMILES CSCCC(OCCCCC)=O
SPLASH splash10-024l-9200000000-500ff0c359486faa5922
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000516