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2-Ethylhexyl octanoate
SpectraBase Compound ID 9w2GFEMR8EL
InChI InChI=1S/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3
InChIKey HPUAIVNIHNEYPO-UHFFFAOYSA-N
Mol Weight 256.4 g/mol
Molecular Formula C16H32O2
Exact Mass 256.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wvisrvBEE2
Name 2-Ethylhexyl octanoate
Alternate Name(s) caprylic acid 2-ethylhexyl ester Octanoic acid 2-ethylhexyl ester AI3-02311 EINECS 264-098-9
CAS Registry Number 63321-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3
InChIKey HPUAIVNIHNEYPO-UHFFFAOYSA-N
Molecular Weight 256.430 g/mol
SMILES C(COC(CCCCCCC)=O)(CCCC)CC
SPLASH splash10-054o-9000000000-00869ad5334a5eee36fc
Wiley ID 1492684