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3-Buten-2-ol, benzoate
SpectraBase Compound ID JpN4opjtY9w
InChI InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKey ZNWBXXLWBPWQAT-UHFFFAOYSA-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 Gnb2WGC4Ju9
Name 3-Buten-2-ol, benzoate
CAS Registry Number 65001-62-9
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/h3-9H,1H2,2H3
InChIKey ZNWBXXLWBPWQAT-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol301563g
Molecular Weight 176.215 g/mol
SMILES c1(ccccc1)C(=O)OC(C=C)C
SPLASH splash10-0a4i-1900000000-dfee9a2b21ba3ba90e18
Source of Spectrum A1-14-3716/SMS10-3q
Synonyms 1-Methyl-2-propenyl benzoate 1-Methylallyl benzoate Benzoic acid 1-methylallyl ester But-3-en-2-yl benzoate Benzoic acid but-3-en-2-yl ester
Wiley ID 1750377