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2-Ethylhexanoic acid

View entire compound with spectra: 33 NMR, 13 FTIR, 1 Raman, 19 MS (GC), and 2 Near IR

2-Ethylhexanoic acid
SpectraBase Compound ID AyoYRxncx6Y
InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey OBETXYAYXDNJHR-UHFFFAOYSA-N
Mol Weight 144.21 g/mol
Molecular Formula C8H16O2
Exact Mass 144.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmLPIA5ZnIB
Name Hexanoic acid, 2-ethyl-
CAS Registry Number 149-57-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H16O2
InChI InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey OBETXYAYXDNJHR-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.H. Marr, Org. Magn. Resonance 13, 29 (1980).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid