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4-Butyl 1-methyl malate

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

4-Butyl 1-methyl malate
SpectraBase Compound ID BLMpupZagf4
InChI InChI=1S/C9H16O5/c1-3-4-5-14-8(11)6-7(10)9(12)13-2/h7,10H,3-6H2,1-2H3
InChIKey WSZDREQWTAMCEN-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C9H16O5
Exact Mass 204.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT3nbeqnHrJ
Name 4-Butyl 1-Methyl Malate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O5
InChI InChI=1S/C9H16O5/c1-3-4-5-14-8(11)6-7(10)9(12)13-2/h7,10H,3-6H2,1-2H3
InChIKey WSZDREQWTAMCEN-UHFFFAOYSA-N
Molecular Weight 204.222 g/mol
SMILES OC(C(=O)OC)CC(=O)OCCCC
SPLASH splash10-00kr-9500000000-e5854140138a0e620c55
Source of Spectrum X4-25-291-0
Synonyms 2-Hydroxybutanedioic acid O4-butyl ester O1-methyl ester 4-O-butyl 1-O-methyl 2-hydroxybutanedioate O4-butyl O1-methyl 2-hydroxybutanedioate O4-butyl O1-methyl 2-oxidanylbutanedioate
Wiley ID 1586206