For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
methyl 3-methyl-5-(5-methyl-2-thienyl)pentanoate
SpectraBase Compound ID 1mwmbYSBeCq
InChI InChI=1S/C12H18O2S/c1-9(8-12(13)14-3)4-6-11-7-5-10(2)15-11/h5,7,9H,4,6,8H2,1-3H3
InChIKey FEMIXUDVEJNZCW-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6UkXreiMvsu
Name methyl 3-methyl-5-(5-methyl-2-thienyl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2S
InChI InChI=1S/C12H18O2S/c1-9(8-12(13)14-3)4-6-11-7-5-10(2)15-11/h5,7,9H,4,6,8H2,1-3H3
InChIKey FEMIXUDVEJNZCW-UHFFFAOYSA-N
Instrument Name Thermo DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3696
Molecular Weight 226.334 g/mol
SMILES C(CC(CCc1ccc(s1)C)C)(OC)=O
SPLASH splash10-03di-0910000000-9d8571d9c0c6597ceabd
Source of Spectrum SFA-89-2092-methyl ester 9
Wiley ID 1840297