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methyl 3-methyl-5-(3-methyl-2-thienyl)pentanoate
SpectraBase Compound ID CgeMbpnysW9
InChI InChI=1S/C12H18O2S/c1-9(8-12(13)14-3)4-5-11-10(2)6-7-15-11/h6-7,9H,4-5,8H2,1-3H3
InChIKey VPOHUHNRTPQHRH-UHFFFAOYSA-N
Mol Weight 226.33 g/mol
Molecular Formula C12H18O2S
Exact Mass 226.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6QXSKSLeuf
Name methyl 3-methyl-5-(3-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)4-5-11-10(2)6-7-15-11/h6-7,9H,4-5,8H2,1-3H3
InChIKey VPOHUHNRTPQHRH-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(CCc1c(ccs1)C)C)(OC)=O
SPLASH splash10-03di-2900000000-a29f7185c1071c57c7fa
Source of Spectrum SFA-89-2093-Methyl ester 10
Wiley ID 1840296