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3-Thiopheneacetic acid, .alpha.-5-hexynyl-, ethyl ester
SpectraBase Compound ID FTPkpc1yG0u
InChI InChI=1S/C14H18O2S/c1-3-5-6-7-8-13(14(15)16-4-2)12-9-10-17-11-12/h1,9-11,13H,4-8H2,2H3
InChIKey NDKYGIDXFRHTFK-UHFFFAOYSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6F3WOApvWcs
Name 3-Thiopheneacetic acid, .alpha.-5-hexynyl-, ethyl ester
Alternate Name(s) Ethyl 2-(3-thienyl)-7-octynoate Ethyl 2-(3-thienyl)oct-7-ynoate
CAS Registry Number 132526-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-5-6-7-8-13(14(15)16-4-2)12-9-10-17-11-12/h1,9-11,13H,4-8H2,2H3
InChIKey NDKYGIDXFRHTFK-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES c1(C(C(=O)OCC)CCCCC#C)cscc1
SPLASH splash10-0002-9300000000-0f85e488452d3f3d724b
Source of Spectrum KC-1990-2917-19
Wiley ID 1253235