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Heptanoic acid, 2-methoxy-3-(1-methylethyl)-6-oxo-, methyl ester, [R-(R*,S*)]-
SpectraBase Compound ID 4gY6cGaANJg
InChI InChI=1S/C12H22O4/c1-8(2)10(7-6-9(3)13)11(15-4)12(14)16-5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKey ORMDIAZSNDKZEX-WDEREUQCSA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ah2VUimppl
Name Heptanoic acid, 2-methoxy-3-(1-methylethyl)-6-oxo-, methyl ester, [R-(R*,S*)]-
CAS Registry Number 61262-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
InChI InChI=1S/C12H22O4/c1-8(2)10(7-6-9(3)13)11(15-4)12(14)16-5/h8,10-11H,6-7H2,1-5H3/t10-,11+/m0/s1
InChIKey ORMDIAZSNDKZEX-WDEREUQCSA-N
Molecular Weight 230.304 g/mol
SMILES C([C@@]([C@@](CCC(=O)C)(C(C)C)[H])(OC)[H])(=O)OC
SPLASH splash10-05fr-9600000000-25809753c18e17fe50a7
Source of Spectrum F-32-1439-0
Synonyms Methyl (2R)-2-methoxy-(3S)-3-isopropyl-6-oxo-heptanoate Methyl (2R,3S)-3-isopropyl-2-methoxy-6-oxoheptanoate
Wiley ID 1231625