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2-Butenoic acid, 2-cyano-3-(4-morpholinyl)-, ethyl ester, (E)-
SpectraBase Compound ID L5BMiCyCEeC
InChI InChI=1S/C11H16N2O3/c1-3-16-11(14)10(8-12)9(2)13-4-6-15-7-5-13/h3-7H2,1-2H3/b10-9+
InChIKey OHKFMWSVHJVBQN-MDZDMXLPSA-N
Mol Weight 224.26 g/mol
Molecular Formula C11H16N2O3
Exact Mass 224.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A00TxboDwu9
Name 2-Butenoic acid, 2-cyano-3-(4-morpholinyl)-, ethyl ester, (E)-
Alternate Name(s) ethyl (2E)-2-cyano-3-(4-morpholinyl)-2-butenoate Ethyl (E)-2-cyano-3-(1-morpholino)crotonate
CAS Registry Number 111505-55-6
Comments Less than 3 mono-isotopic peaks
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Formula C11H16N2O3
InChI InChI=1S/C11H16N2O3/c1-3-16-11(14)10(8-12)9(2)13-4-6-15-7-5-13/h3-7H2,1-2H3/b10-9+
InChIKey OHKFMWSVHJVBQN-MDZDMXLPSA-N
Molecular Weight 224.260 g/mol
SMILES C1N(\C(=C\(C(=O)OCC)C#N)C)CCOC1
SPLASH splash10-0udi-0910000000-a11554f30ffedc5a6762
Source of Spectrum I-65-2719-7
Wiley ID 1224787