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3-PENTANOIC-ACID

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

3-PENTANOIC-ACID
SpectraBase Compound ID 8CsK6YwhBxr
InChI InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
InChIKey UIUWNILCHFBLEQ-NSCUHMNNSA-N
Mol Weight 100.12 g/mol
Molecular Formula C5H8O2
Exact Mass 100.052429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCkgTGkhbOX
Name 3-PENTANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H8O2
InChI InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
InChIKey UIUWNILCHFBLEQ-NSCUHMNNSA-N
Literature Reference Author G.BULUT,A.KAYAN
Literature Reference Citation OPEN.MACMOL.J.,2,38(2008)
Literature Reference DOI 10.2174/1874343900802010038
Molecular Weight 100.117 g/mol
Solvent Unknown
Source File Reference UWLU80422