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Hexanoic acid, 2-ethyl-, octyl ester
SpectraBase Compound ID JwF59EZhhyx
InChI InChI=1S/C16H32O2/c1-4-7-9-10-11-12-14-18-16(17)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3
InChIKey LGCQCKHJCZIRTE-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 HawUTIzKNVL
Name Hexanoic acid, 2-ethyl-, octyl ester
CAS Registry Number 93777-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-4-7-9-10-11-12-14-18-16(17)15(6-3)13-8-5-2/h15H,4-14H2,1-3H3
InChIKey LGCQCKHJCZIRTE-UHFFFAOYSA-N
Molecular Weight 256.430 g/mol
SMILES C(CCCCCCC)OC(C(CC)CCCC)=O
SPLASH splash10-0002-4900000000-be93e5ebf169bc98b591
Source of Spectrum O-22-474-3
Synonyms Octyl 2-ethylhexanoate 2-Ethylhexanoic acid octyl ester EINECS 298-077-0
Wiley ID 1260230