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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 LjXTqHpAx9t
Name 3-Methylbutyl heptanoate
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
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.77
Molecular Weight 200.322 g/mol
SMILES CC(CCOC(CCCCCC)=O)C
SPLASH splash10-00di-9200000000-35ae9c16071a60939166
Source of Spectrum BJO-14-SM4-31
Wiley ID 1845839