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3-Pentenoic acid, ethyl ester
SpectraBase Compound ID 4T4grzIbOA3
InChI InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKey UMLQAWUDAFCGGS-HWKANZROSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ftswx71YVcy
Name 3-Pentenoic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 128.083729624 u
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKey UMLQAWUDAFCGGS-HWKANZROSA-N
SMILES C\C=C\CC(OCC)=O