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2-ethyl-1-hexanol, butyrate

View entire compound with spectra: 3 NMR, 2 FTIR, and 4 MS (GC)

2-ethyl-1-hexanol, butyrate
SpectraBase Compound ID G0GU2MKzbtT
InChI InChI=1S/C12H24O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2/h11H,4-10H2,1-3H3
InChIKey LFEQNZNCKDNGRM-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 4u9TMQp9VTc
Name 2-Ethylhexyl butanoate
Alternate Name(s) 2-Ethylhexyl butyrate Butanoic acid 2-ethylhexyl ester Butyric acid 2-ethylhexyl ester n-Butyric acid 2-ethylhexyl ester
CAS Registry Number 25415-84-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24O2
InChI InChI=1S/C12H24O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2/h11H,4-10H2,1-3H3
InChIKey LFEQNZNCKDNGRM-UHFFFAOYSA-N
Molecular Weight 200.322 g/mol
SMILES C(=O)(OCC(CCCC)CC)CCC
SPLASH splash10-00di-9000000000-994ca99b437195ada5e7
Source of Spectrum IC-485-0-0
Wiley ID 1197992