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Propanoic acid, 3-cyano-, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Propanoic acid, 3-cyano-, ethyl ester
SpectraBase Compound ID 6fipGZLhMAZ
InChI InChI=1S/C6H9NO2/c1-2-9-6(8)4-3-5-7/h2-4H2,1H3
InChIKey BFSBTNGKMMFQNL-UHFFFAOYSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHJ34DepvYo
Name 3-Cyanopropionic acid, ethyl ester
CAS Registry Number 10137-67-4
Comments Less than 3 mono-isotopic peaks
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Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c1-2-9-6(8)4-3-5-7/h2-4H2,1H3
InChIKey BFSBTNGKMMFQNL-UHFFFAOYSA-N
Molecular Weight 127.143 g/mol
SMILES C(CCC#N)(=O)OCC
SPLASH splash10-0002-9300000000-dcaef3060139a5ae4d0e
Source of Spectrum F5-3-3484-5a
Synonyms Ethyl 3-cyanopropanoate 3-Cyanopropanoic acid ethyl ester Ethyl 3-cyanopropionate Propanoic acid, 3-cyano-, ethyl ester Propionic acid, 3-cyano-, ethyl ester
Wiley ID 1732518