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methyl-(3R)-(-)-5-oxo-3-propylpentanoate
SpectraBase Compound ID 8GPB759eoPC
InChI InChI=1S/C9H16O3/c1-3-4-8(5-6-10)7-9(11)12-2/h6,8H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKey JLNAXTYLYIFXCV-MRVPVSSYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qTr3oBcc8K
Name methyl-(3R)-(-)-5-oxo-3-propylpentanoate
CAS Registry Number 107985-94-4
Comments Less than 3 mono-isotopic peaks
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Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-8(5-6-10)7-9(11)12-2/h6,8H,3-5,7H2,1-2H3/t8-/m1/s1
InChIKey JLNAXTYLYIFXCV-MRVPVSSYSA-N
Molecular Weight 172.224 g/mol
SMILES C(=O)(C[C@@](CC=O)(CCC)[H])OC
SPLASH splash10-00di-9000000000-d3762b9a6192e3f5d50e
Source of Spectrum K-120-1226-0
Synonyms methyl (3R)-3-(2-oxoethyl)hexanoate
Wiley ID 1168772