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Heptanedial, 4-oxo-3-(3-oxobutyl)-, (R)-
SpectraBase Compound ID Grc6TpLixnc
InChI InChI=1S/C11H16O4/c1-9(14)4-5-10(6-8-13)11(15)3-2-7-12/h7-8,10H,2-6H2,1H3/t10-/m1/s1
InChIKey FKAXZCROLOJMSC-SNVBAGLBSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cEjBLIge8
Name Heptanedial, 4-oxo-3-(3-oxobutyl)-, (R)-
Alternate Name(s) (3R)-4-oxo-3-(3-oxobutyl)heptanedial 5-Formylmethyl-4-methylene-8-oxononal
CAS Registry Number 74269-57-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-9(14)4-5-10(6-8-13)11(15)3-2-7-12/h7-8,10H,2-6H2,1H3/t10-/m1/s1
InChIKey FKAXZCROLOJMSC-SNVBAGLBSA-N
Molecular Weight 212.245 g/mol
SMILES C(=O)([C@](CCC(=O)C)(CC=O)[H])CCC=O
SPLASH splash10-000l-9000000000-d172a3371621ea42b95c
Source of Spectrum F-35-1915-0
Wiley ID 1211161