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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMUZlqu48Qq
Name Hexanoic acid, 2-ethyl-
Alternate Name(s) .alpha.-Ethylcaproic acid .alpha.-Ethylhexanoic acid 2-Butylbutanoic acid 2-Ethyl-1-hexanoic acid 2-Ethyl-hexanoic acid 2-Ethylcaproic acid 2-Ethylcapronic acid 2-Ethylhexansaeure 2-Ethylhexoic acid 3-Heptanecarboxylic acid Butylethylacetic acid Ethyl hexanoic acid Ethyl hexanoic acid, 2- Ethylhexoic acid Kyselina 2-ethylkapronova Kyselina heptan-3-karboxylova AI3-01371 BRN 1750468 CCRIS 3348 EINECS 205-743-6 HSDB 5649 NSC 8881
CAS Registry Number 149-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 144.214 g/mol
SMILES OC(C(CCCC)CC)=O
SPLASH splash10-0079-9000000000-321803b76b066bddb88a
Source of Spectrum Va-0-0-0
Wiley ID 739714