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3-Thiopheneacetic acid, .alpha.-4-pentynyl-, ethyl ester
SpectraBase Compound ID 5bIodds2bxh
InChI InChI=1S/C13H16O2S/c1-3-5-6-7-12(13(14)15-4-2)11-8-9-16-10-11/h1,8-10,12H,4-7H2,2H3
InChIKey OWVZXHQJXHDYKH-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qGzyNXKf56
Name 3-Thiopheneacetic acid, .alpha.-4-pentynyl-, ethyl ester
Alternate Name(s) Ethyl 2-(3-thienyl)-6-heptynoate Ethyl 2-(3-thienyl)hept-6-ynoate
CAS Registry Number 132526-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-3-5-6-7-12(13(14)15-4-2)11-8-9-16-10-11/h1,8-10,12H,4-7H2,2H3
InChIKey OWVZXHQJXHDYKH-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES c1(C(C(=O)OCC)CCCC#C)cscc1
SPLASH splash10-01ot-9800000000-997f9f379fe4b5deed30
Source of Spectrum KC-1990-2916-19
Wiley ID 1237989