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METHYLSUCCINIC ACID, 1-BUTYL ESTER

View entire compound with spectra: 2 NMR, and 1 MS (GC)

METHYLSUCCINIC ACID, 1-BUTYL ESTER
SpectraBase Compound ID 9B26Orrt4r9
InChI InChI=1S/C9H16O4/c1-3-4-5-13-9(12)7(2)6-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey OOOSEAAWXJSCTH-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nbGrlwJEzv
Name 4-Butoxy-3-methyl-4-oxidanylidene-butanoic acid
Alternate Name(s) 4-Butoxy-3-methyl-4-oxo-butanoic acid 4-Butoxy-4-keto-3-methyl-butyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-3-4-5-13-9(12)7(2)6-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey OOOSEAAWXJSCTH-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC(CC(C(=O)OCCCC)C)=O
SPLASH splash10-00kr-9700000000-0209631df198257d1ec4
Source of Spectrum F-38-1588-0
Wiley ID 1184372