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heptanoic acid, isopentyl ester

View entire compound with spectra: 6 NMR, 2 FTIR, and 9 MS (GC)

heptanoic acid, isopentyl ester
SpectraBase Compound ID J3Fez4FCi58
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3
InChIKey AFCXVDRTNQNGHS-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rska3VYPo
Name 3-Methylbutyl heptanoate
CAS Registry Number 109-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-5-6-7-8-12(13)14-10-9-11(2)3/h11H,4-10H2,1-3H3
InChIKey AFCXVDRTNQNGHS-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CCCCCCC(=O)OCCC(C)C
SPLASH splash10-006x-9000000000-60aebfa5130b72a3f68d
Synonyms Isopentyl heptanoate enanthic acid isoamyl ester Heptanoic acid 3-methylbutyl ester iso-Amyl n-heptanoate AI3-33579 EINECS 203-658-9
Wiley ID 1494715