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2-Methylpropyl 2-ethylhexanoate
SpectraBase Compound ID LHKkPfJVoDu
InChI InChI=1S/C12H24O2/c1-5-7-8-11(6-2)12(13)14-9-10(3)4/h10-11H,5-9H2,1-4H3
InChIKey FPBZIVPZCGICNQ-UHFFFAOYSA-N
Mol Weight 200.32 g/mol
Molecular Formula C12H24O2
Exact Mass 200.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UE96dp9mQ1
Name 2-Methylpropyl 2-ethylhexanoate
Alternate Name(s) 2-Ethylhexanoic acid 2-methylpropyl ester 2-Ethylhexanoic acid isobutyl ester Hexanoic acid, 2-ethyl-, 2-methylpropyl ester iso-Butyl 2-ethyl n-hexanoate Isobutyl 2-ethylhexanoate EINECS 231-082-8
CAS Registry Number 7434-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-5-7-8-11(6-2)12(13)14-9-10(3)4/h10-11H,5-9H2,1-4H3
InChIKey FPBZIVPZCGICNQ-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES CCCCC(CC)C(=O)OCC(C)C
SPLASH splash10-0a4i-9300000000-d034b34a3d5f0a25e7a8
Source of Spectrum LQ-1992-1224-0
Wiley ID 1198031