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Octanoic acid isopropyl ester

View entire compound with spectra: 1 FTIR, and 7 MS (GC)

Octanoic acid isopropyl ester
SpectraBase Compound ID 3aycPojb8Kl
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
InChIKey WCGIIHOFOFCKSM-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 BnhBYulFOJH
Name Isopropyl octanoate
CAS Registry Number 5458-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-4-5-6-7-8-9-11(12)13-10(2)3/h10H,4-9H2,1-3H3
InChIKey WCGIIHOFOFCKSM-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(=O)(CCCCCCC)OC(C)C
SPLASH splash10-002f-9000000000-33b97d9787ed1d00c3da
Synonyms caprylic acid isopropyl ester iso-Propyl n-octanoate n-Octanoic acid isopropyl ester Octanoic acid propan-2-yl ester Octanoic acid, 1-methylethyl ester Octanoic acid, isopropyl ester Propan-2-yl octanoate AI3-30981 EINECS 226-721-2
Wiley ID 1492687