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Ethyl 5-methyl-3-oxo-4-hexene-2-yne-1-carboxylate
SpectraBase Compound ID 7nflEFk86xf
InChI InChI=1S/C10H12O3/c1-4-13-10(12)6-5-9(11)7-8(2)3/h7H,4H2,1-3H3
InChIKey WTEHHIMATQPRAF-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aze3woE5UbQ
Name 5-Hepten-2-ynoic acid, 6-methyl-4-oxo-, ethyl ester
Alternate Name(s) Ethyl 5-methyl-3-oxohex-4-ene-2-yne-1-carboxylate Ethyl 6-methyl-4-oxo-5-hepten-2-ynoate
CAS Registry Number 83253-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-4-13-10(12)6-5-9(11)7-8(2)3/h7H,4H2,1-3H3
InChIKey WTEHHIMATQPRAF-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
SMILES C(#CC(C=C(C)C)=O)C(=O)OCC
SPLASH splash10-0a4r-0900000000-61d108e04e3933a7706a
Source of Spectrum F-38-1586-0
Wiley ID 1176069