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Isobutyl-3-methylene-6-oxoheptanoate
SpectraBase Compound ID KPGwPBavobq
InChI InChI=1S/C12H20O3/c1-9(2)8-15-12(14)7-10(3)5-6-11(4)13/h9H,3,5-8H2,1-2,4H3
InChIKey OTEOZROBCMKOGH-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZkWJTFxt5x
Name Isobutyl-3-methylene-6-oxoheptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(2)8-15-12(14)7-10(3)5-6-11(4)13/h9H,3,5-8H2,1-2,4H3
InChIKey OTEOZROBCMKOGH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201100800
Molecular Weight 212.289 g/mol
SMILES C(OC(=O)CC(=C)CCC(C)=O)C(C)C
SPLASH splash10-0aos-9400000000-e14484cdefb187de27a4
Source of Spectrum ASC-354-863/SM5-7d
Synonyms Isobutyl 3-methylene-6-oxoheptanoate
Wiley ID 1762978