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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 Iyw9YogDKFe
Name isopropyl octanoate
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
Instrument Name VG ZAB-2F
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290070902
Molecular Weight 186.295 g/mol
SMILES CCCCCCCC(OC(C)C)=O
SPLASH splash10-052f-9300000000-ba03f41a3843c2e91670
Source of Spectrum RCM-7-790-3
Wiley ID 1837338