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Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
SpectraBase Compound ID 7MJPgWR4gbZ
InChI InChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3
InChIKey OUCGJMIVSYHBEC-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 6XkagStd8Tv
Name Hexanoic acid, 2-ethyl-, 2-ethylhexyl ester
Alternate Name(s) 2-Ethylhexanoic acid 2-ethylhexyl ester 2-Ethylhexyl 2-ethylhexanoate 2-Ethylhexylester kyseliny 2-ethylkapronove BRN 1777190 EINECS 231-057-1
CAS Registry Number 7425-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H32O2
InChI InChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3
InChIKey OUCGJMIVSYHBEC-UHFFFAOYSA-N
Molecular Weight 256.430 g/mol
SMILES C(C(OCC(CCCC)CC)=O)(CCCC)CC
SPLASH splash10-01rb-5900000000-b26886feb065668ced3e
Source of Spectrum O-22-474-4
Wiley ID 1260223