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Racemic 2-methyl-3-oxovaleric acid pentyl ester
SpectraBase Compound ID 3MR7uoqnsem
InChI InChI=1S/C11H20O3/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9H,4-8H2,1-3H3
InChIKey BAECFROZQCOHIJ-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RRCQMFh5HB
Name Racemic 2-methyl-3-oxovaleric acid pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-4-6-7-8-14-11(13)9(3)10(12)5-2/h9H,4-8H2,1-3H3
InChIKey BAECFROZQCOHIJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbic.201800799
Molecular Weight 200.278 g/mol
SMILES C(C(C(C(=O)OCCCCC)C)=O)C
SPLASH splash10-0ab9-9200000000-c06b4d37914c53ed7331
Source of Spectrum CBC-20-SM7-6
Synonyms Pentyl 2-methyl-3-oxopentanoate
Wiley ID 1819384