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Methyl 2-(2-methylbenzoyl)pent-4-ynoate

View entire compound with spectra: 1 MS (GC)

Methyl 2-(2-methylbenzoyl)pent-4-ynoate
SpectraBase Compound ID Gg5oPeaWjrL
InChI InChI=1S/C14H14O3/c1-4-7-12(14(16)17-3)13(15)11-9-6-5-8-10(11)2/h1,5-6,8-9,12H,7H2,2-3H3
InChIKey SUBDRFFIFQBAPG-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XoUVbkRjgi
Name Methyl 2-(2-methylbenzoyl)pent-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-4-7-12(14(16)17-3)13(15)11-9-6-5-8-10(11)2/h1,5-6,8-9,12H,7H2,2-3H3
InChIKey SUBDRFFIFQBAPG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201000005
Molecular Weight 230.263 g/mol
SMILES COC(=O)C(CC#C)C(=O)c1c(cccc1)C
SPLASH splash10-014l-6900000000-4d2c02c9efdecc9942c3
Source of Spectrum ASC-352-1163/SM5-2m
Wiley ID 1764433