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IGHNIHKXCKRODT-WEVVVXLNSA-N
SpectraBase Compound ID GlTYbRhTceo
InChI InChI=1S/C13H12O2/c1-11-7-3-4-8-12(11)9-5-6-10-13(14)15-2/h3-5,7-9H,1-2H3/b9-5+
InChIKey IGHNIHKXCKRODT-WEVVVXLNSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lflbv9ElQMG
Name (E)-5-(2-methylphenyl)pent-4-en-2-ynoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-11-7-3-4-8-12(11)9-5-6-10-13(14)15-2/h3-5,7-9H,1-2H3/b9-5+
InChIKey IGHNIHKXCKRODT-WEVVVXLNSA-N
Molecular Weight 200.237 g/mol
SMILES C(#C\C=C\c1c(C)cccc1)C(=O)OC
SPLASH splash10-0006-0910000000-18efc5408dd6f5d1b06d
Source of Spectrum KC-0-2629-8
Synonyms (E)-5-(o-tolyl)pent-4-en-2-ynoic acid methyl ester Methyl (E)-5-(2-methylphenyl)pent-4-en-2-ynoate Methyl (E)-5-(o-tolyl)pent-4-en-2-ynoate
Wiley ID 823145