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Methyl 7-methyl-2-propionyloctanoate
SpectraBase Compound ID 1w19PgF3NNS
InChI InChI=1S/C13H24O3/c1-5-12(14)11(13(15)16-4)9-7-6-8-10(2)3/h10-11H,5-9H2,1-4H3
InChIKey CPSCSCIOKWGSRE-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD5zzAzyYlb
Name Methyl 7-methyl-2-propionyloctanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-5-12(14)11(13(15)16-4)9-7-6-8-10(2)3/h10-11H,5-9H2,1-4H3
InChIKey CPSCSCIOKWGSRE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbic.200300813
Molecular Weight 228.332 g/mol
SMILES C(C(CCCCC(C)C)C(=O)CC)(=O)OC
SPLASH splash10-0a4i-9300000000-1ab2e86c85c5f7f0a2aa
Source of Spectrum CBC-5-786-13
Wiley ID 1786521