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7-hydroxy-7-phenyl-hept-2-ynoic acid methyl ester

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

7-hydroxy-7-phenyl-hept-2-ynoic acid methyl ester
SpectraBase Compound ID Aa1I4OXc6nG
InChI InChI=1S/C14H16O3/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13,15H,3,6,10H2,1H3
InChIKey BRJJJYRCOUHAKS-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQJnShFYi58
Name Methyl 7-hydroxy-7-phenylhept-2-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9,13,15H,3,6,10H2,1H3
InChIKey BRJJJYRCOUHAKS-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES OC(CCCC#CC(=O)OC)c1ccccc1
SPLASH splash10-0a6s-8900000000-da86030d2da25defab43
Source of Spectrum K1-2000-534-7
Synonyms 7-Hydroxy-7-phenyl-2-heptynoic acid methyl ester 7-Hydroxy-7-phenyl-hept-2-ynoic acid methyl ester Methyl 7-oxidanyl-7-phenyl-hept-2-ynoate
Wiley ID 749635