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Valeric acid

View entire compound with spectra: 40 NMR, 19 FTIR, 3 Raman, 26 MS (GC), and 2 Near IR

Valeric acid
SpectraBase Compound ID Iwc8m4nCf5x
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Mol Weight 102.13 g/mol
Molecular Formula C5H10O2
Exact Mass 102.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKcppphZT89
Name Pentanoic acid
Alternate Name(s) 1-Pentanoic acid Valeric acid Butanecarboxylic acid Kyselina valerova N-C4H9COOH N-pentanoate n-Pentanoic acid n-Valeric acid Pentanoate Propylacetic acid Valerate Valerianic acid Valeric acid, N- Valeric acid, normal AI3-08657 BRN 0969454 EINECS 203-677-2 FEMA NO. 3101 HSDB 5390 NSC 406833
CAS Registry Number 109-52-4
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Formula C5H10O2
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Molecular Weight 102.133 g/mol
SMILES OC(CCCC)=O
SPLASH splash10-03dl-9000000000-1eaa611195cc20699810
Source of Spectrum LQ-1992-3035-0
Wiley ID 1120268