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Heptanoic acid, 3-(1-methylethyl)-6-oxo-
SpectraBase Compound ID BcrL5xi71VQ
InChI InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h7,9H,4-6H2,1-3H3,(H,12,13)
InChIKey ZLKOMEDABHKFAC-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5VfdXDprvy
Name Heptanoic acid, 3-(1-methylethyl)-6-oxo-
CAS Registry Number 75656-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h7,9H,4-6H2,1-3H3,(H,12,13)
InChIKey ZLKOMEDABHKFAC-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES OC(CC(CCC(C)=O)C(C)C)=O
SPLASH splash10-0006-9100000000-1c034b4886af1dbf7f2a
Source of Spectrum NP-3-3160-0
Synonyms R-(+)-3-Isopropyl-6-oxoheptanoic acid 3-Isopropyl-6-oxoheptanoic acid 3-isopropyl-6-keto-enanthic acid 3-isopropyl-6-oxo-heptanoic acid 6-Oxo-3-propan-2-ylheptanoic acid 6-Oxidanylidene-3-propan-2-yl-heptanoic acid
Wiley ID 1102499