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3-Heptyl isobutyrate
SpectraBase Compound ID 7sAXEPpzmmE
InChI InChI=1S/C11H22O2/c1-5-7-8-10(6-2)13-11(12)9(3)4/h9-10H,5-8H2,1-4H3
InChIKey BEOJRFPSYLJBFR-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Bdlzjeyg2B
Name 3-Heptyl isobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-5-7-8-10(6-2)13-11(12)9(3)4/h9-10H,5-8H2,1-4H3
InChIKey BEOJRFPSYLJBFR-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 186.295 g/mol
SMILES CCCCC(CC)OC(=O)C(C)C
SPLASH splash10-0596-9000000000-2df37fb322b2879b1d76
Source of Spectrum SRH-2022-8561-0
Synonyms 1-Ethylpentyl 2-methylpropionate
Wiley ID 1830257