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Benzeneacetic acid, 1-methyl-2-propynyl ester
SpectraBase Compound ID TmPhuan0Gp
InChI InChI=1S/C12H12O2/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3
InChIKey VXNDJPDQNAXPHL-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qMU3lYUYqZ
Name Benzeneacetic acid, 1-methyl-2-propynyl ester
Alternate Name(s) 1-Methyl-2-propynyl phenylacetate 1-Methylprop-2-ynyl 2-phenylacetate 2-Phenylacetic acid 1-methylprop-2-ynyl ester But-3-yn-2-yl 2-phenylacetate 2-Phenylacetic acid but-3-yn-2-yl ester But-3-yn-2-yl 2-phenylethanoate Phenylacetic acid, but-3-yn-2-yl ester
CAS Registry Number 54789-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h1,4-8,10H,9H2,2H3
InChIKey VXNDJPDQNAXPHL-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES CC(C#C)OC(Cc1ccccc1)=O
SPLASH splash10-0006-9300000000-1e56c0d9d6695b6fdf1e
Source of Spectrum AA-0-1298-3
Wiley ID 20316