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1-Ethylpropyl octanoate
SpectraBase Compound ID EiQ7T03SY2r
InChI InChI=1S/C13H26O2/c1-4-7-8-9-10-11-13(14)15-12(5-2)6-3/h12H,4-11H2,1-3H3
InChIKey OXFCYOWGZVUVFY-UHFFFAOYSA-N
Mol Weight 214.35 g/mol
Molecular Formula C13H26O2
Exact Mass 214.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpPFX0LESad
Name 1-Ethylpropyl octanoate
Alternate Name(s) Octanoic acid pentan-3-yl ester Pentan-3-yl octanoate
CAS Registry Number 5457-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2
InChI InChI=1S/C13H26O2/c1-4-7-8-9-10-11-13(14)15-12(5-2)6-3/h12H,4-11H2,1-3H3
InChIKey OXFCYOWGZVUVFY-UHFFFAOYSA-N
Molecular Weight 214.349 g/mol
SMILES C(OC(CC)CC)(CCCCCCC)=O
SPLASH splash10-0adl-9400000000-260b0fb4fcc01d17c407
Source of Spectrum NP-4-9545-0
Wiley ID 1104423