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4-OXO-2-HEPTYNOIC ACID, ETHYL ESTER
SpectraBase Compound ID AAA9ekHzWyl
InChI InChI=1S/C9H12O3/c1-3-5-8(10)6-7-9(11)12-4-2/h3-5H2,1-2H3
InChIKey DFJHYEZGVGHMPQ-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0es7sqSaRC
Name 4-ketohept-2-ynoic acid ethyl ester
CAS Registry Number 83253-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-3-5-8(10)6-7-9(11)12-4-2/h3-5H2,1-2H3
InChIKey DFJHYEZGVGHMPQ-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C(#CC(=O)CCC)C(=O)OCC
SPLASH splash10-00e9-9100000000-7f592ce55a3fb3033167
Source of Spectrum F-38-1586-0
Synonyms 4-Oxo-2-heptynoic acid ethyl ester Ethyl 4-oxidanylidenehept-2-ynoate Ethyl 4-oxohept-2-ynoate
Wiley ID 1164276