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3-Buten-2-ol, 4-(2-thienyl)-, acetate
SpectraBase Compound ID NPvhO1y6ab
InChI InChI=1S/C10H12O2S/c1-8(12-9(2)11)5-6-10-4-3-7-13-10/h3-8H,1-2H3/b6-5+
InChIKey WFCHYMPNGFHGPF-AATRIKPKSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMo0qaRkSDk
Name 3-Buten-2-ol, 4-(2-thienyl)-, acetate
CAS Registry Number 97602-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-8(12-9(2)11)5-6-10-4-3-7-13-10/h3-8H,1-2H3/b6-5+
InChIKey WFCHYMPNGFHGPF-AATRIKPKSA-N
Literature Reference DOI 10.1021/ol203013p
Molecular Weight 196.264 g/mol
SMILES c1c(scc1)\C=C\C(OC(C)=O)C
SPLASH splash10-052f-9400000000-8a4f88c8521b158297f9
Source of Spectrum A1-14-226/SM8-3m
Synonyms (2E)-1-methyl-3-(2-thienyl)-2-propenyl acetate (E)-4-(thiophen-2-yl)but-3-en-2-yl acetate 4-(2-Thienyl)but-3-en-2-yl acetate
Wiley ID 1749964