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4-Oxo-6-phenyl-hex-5-ynoic acid
SpectraBase Compound ID JMssUBMxJ7e
InChI InChI=1S/C12H10O3/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,14,15)
InChIKey VRUVCRQSUNRWAO-UHFFFAOYSA-N
Mol Weight 202.21 g/mol
Molecular Formula C12H10O3
Exact Mass 202.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gqz8UhFWu2
Name 4-keto-6-phenyl-hex-5-ynoic acid
Alternate Name(s) 4-Oxidanylidene-6-phenyl-hex-5-ynoic acid 4-Oxo-6-phenyl-5-hexynoic acid 4-Oxo-6-phenyl-hex-5-ynoic acid
CAS Registry Number 14901-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O3
InChI InChI=1S/C12H10O3/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2,(H,14,15)
InChIKey VRUVCRQSUNRWAO-UHFFFAOYSA-N
Molecular Weight 202.209 g/mol
SMILES OC(CCC(C#Cc1ccccc1)=O)=O
SPLASH splash10-004i-0900000000-5ca81894007aeaa97d8d
Source of Spectrum KC-1990-1508-6
Wiley ID 1199841