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Methyl 3-isopropyl-6-oxoheptanoate
SpectraBase Compound ID EV8dZCqeyoC
InChI InChI=1S/C11H20O3/c1-8(2)10(6-5-9(3)12)7-11(13)14-4/h8,10H,5-7H2,1-4H3
InChIKey NFZDHGBVBLVLNX-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fiXjwfgPcn
Name Methyl 3-isopropyl-6-oxoheptanoate
CAS Registry Number 91201-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-8(2)10(6-5-9(3)12)7-11(13)14-4/h8,10H,5-7H2,1-4H3
InChIKey NFZDHGBVBLVLNX-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES CC(CCC(CC(OC)=O)C(C)C)=O
SPLASH splash10-0006-9200000000-cfa3b14e762b7c5f32f7
Source of Spectrum PR-27-0-0
Synonyms R-(+)-Methyl-3-isopropyl-6-oxoheptanoate 3-isopropyl-6-keto-enanthic acid methyl ester 6-Oxo-3-propan-2-ylheptanoic acid methyl ester Methyl 3-isopropyl-6-oxo-heptanoate Methyl 6-oxo-3-propan-2-ylheptanoate Methyl 6-oxidanylidene-3-propan-2-yl-heptanoate
Wiley ID 1197762