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Cyano-[5-(2-hydroxyacetyl)pyrrolidin-2-ylidene]acetic acid, t-butyl ester
SpectraBase Compound ID FW27yMKNSMm
InChI InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)8(6-14)9-4-5-10(15-9)11(17)7-16/h10,15-16H,4-5,7H2,1-3H3/b9-8+
InChIKey PBFYHCRRTFFWJA-CMDGGOBGSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHDvb1HhsEy
Name Cyano-[5-(2-hydroxyacetyl)pyrrolidin-2-ylidene]acetic acid, t-butyl ester
Alternate Name(s) tert-Butyl (2E)-cyano(5-glycoloyl-2-pyrrolidinylidene)ethanoate tert-Butyl (2E)-2-cyano-2-[5-(2-hydroxyacetyl)pyrrolidin-2-ylidene]acetate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)8(6-14)9-4-5-10(15-9)11(17)7-16/h10,15-16H,4-5,7H2,1-3H3/b9-8+
InChIKey PBFYHCRRTFFWJA-CMDGGOBGSA-N
Molecular Weight 266.297 g/mol
SMILES OCC(C1N\C(CC1)=C/(C#N)C(=O)OC(C)(C)C)=O
SPLASH splash10-0udi-5910000000-7b3efbb9874ec71bcef9
Wiley ID 1474828