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(Z)-but-2-en-2-yl benzoate
SpectraBase Compound ID 2zT96yKz9Jq
InChI InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3-
InChIKey KADLBQXUUGTLOS-OQFOIZHKSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cj3Y3UdHmw
Name (Z)-but-2-en-2-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3-
InChIKey KADLBQXUUGTLOS-OQFOIZHKSA-N
Literature Reference DOI 10.1021/ol301563g
Molecular Weight 176.215 g/mol
SMILES c1(ccccc1)C(=O)O\C(=C/C)C
SPLASH splash10-0a4i-5900000000-12198ce5e9497c446da5
Source of Spectrum A1-14-3716/SMS22-4q(Z)_isomer
Synonyms Benzoic acid [(Z)-but-2-en-2-yl] ester [(Z)-1-methylprop-1-enyl] benzoate [(Z)-but-2-en-2-yl] benzoate
Wiley ID 1750412