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3-ketobutyric acid 3-methylbut-2-enyl ester
SpectraBase Compound ID 4uN7IHe3nSx
InChI InChI=1S/C9H14O3/c1-7(2)4-5-12-9(11)6-8(3)10/h4H,5-6H2,1-3H3
InChIKey HWIAQCZAVCBIHB-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n2K8hdDaFf
Name 3-ketobutyric acid 3-methylbut-2-enyl ester
Alternate Name(s) 3-Methylbut-2-enyl 3-oxidanylidenebutanoate 3-Methylbut-2-enyl 3-oxobutanoate 3-Oxobutanoic acid 3-methylbut-2-enyl ester
CAS Registry Number 21597-32-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-7(2)4-5-12-9(11)6-8(3)10/h4H,5-6H2,1-3H3
InChIKey HWIAQCZAVCBIHB-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C(C(=O)OCC=C(C)C)C(=O)C
SPLASH splash10-00kf-9000000000-22308c05d28246453112
Source of Spectrum J-53-450-4
Wiley ID 1166600