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Methyl 2-benzoylpent-4-ynoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 2-benzoylpent-4-ynoate
SpectraBase Compound ID C49u2MtEt0s
InChI InChI=1S/C13H12O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h1,4-6,8-9,11H,7H2,2H3
InChIKey DNFJDVBRHIPZES-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hsst258jxnH
Name Methyl 2-benzoylpent-4-ynoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h1,4-6,8-9,11H,7H2,2H3
InChIKey DNFJDVBRHIPZES-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000005
Molecular Weight 216.236 g/mol
SMILES COC(=O)C(CC#C)C(=O)c1ccccc1
SPLASH splash10-0a6r-7900000000-491286a96c6c7d33f054
Source of Spectrum ASC-352-1163/SM3-2c
Wiley ID 1764423