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rac-6,6-Dimethyl-3-[(methoxycarbonyl)methyl]-5-oxoheptanoic acid

View entire compound with spectra: 1 MS (GC)

rac-6,6-Dimethyl-3-[(methoxycarbonyl)methyl]-5-oxoheptanoic acid
SpectraBase Compound ID K6xpTC38C89
InChI InChI=1S/C12H20O5/c1-12(2,3)9(13)5-8(6-10(14)15)7-11(16)17-4/h8H,5-7H2,1-4H3,(H,14,15)
InChIKey NMEAKTLEDIQUME-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUScssC5plF
Name rac-6,6-Dimethyl-3-[(methoxycarbonyl)methyl]-5-oxoheptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-12(2,3)9(13)5-8(6-10(14)15)7-11(16)17-4/h8H,5-7H2,1-4H3,(H,14,15)
InChIKey NMEAKTLEDIQUME-UHFFFAOYSA-N
Molecular Weight 244.287 g/mol
SMILES OC(CC(CC(C(C)(C)C)=O)CC(=O)OC)=O
SPLASH splash10-052r-3900000000-5de2a98b8847b37c804f
Source of Spectrum F-52-14595-32
Wiley ID 799659