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[(E)-3-methyl-5-(3-thienyl)pent-2-enyl] acetate
SpectraBase Compound ID Cqxj6PjIpFt
InChI InChI=1S/C12H16O2S/c1-10(5-7-14-11(2)13)3-4-12-6-8-15-9-12/h5-6,8-9H,3-4,7H2,1-2H3/b10-5+
InChIKey HIUMDWOMQRNWNX-BJMVGYQFSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CHifgTicWr
Name [(E)-3-methyl-5-(3-thienyl)pent-2-enyl] acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-10(5-7-14-11(2)13)3-4-12-6-8-15-9-12/h5-6,8-9H,3-4,7H2,1-2H3/b10-5+
InChIKey HIUMDWOMQRNWNX-BJMVGYQFSA-N
Instrument Name Thermo DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3696
Molecular Weight 224.318 g/mol
SMILES C(Cc1ccsc1)\C(=C\COC(C)=O)C
SPLASH splash10-0002-9600000000-9244668b64e7d3986448
Source of Spectrum SFA-89-2093-Acetate-18E
Wiley ID 1840277