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Cyano(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-acetic acid, t-butyl ester

View entire compound with spectra: 2 MS (GC)

Cyano(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-acetic acid, t-butyl ester
SpectraBase Compound ID HgjuuDFqhFD
InChI InChI=1S/C15H21N3O2/c1-13(2,3)20-12(19)10(8-16)11-7-14(4,5)15(6,9-17)18-11/h18H,7H2,1-6H3/b11-10+
InChIKey PUIJIFDURUUUES-ZHACJKMWSA-N
Mol Weight 275.35 g/mol
Molecular Formula C15H21N3O2
Exact Mass 275.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id4FpkWIujB
Name Cyano(5-cyano-4,4,5-trimethyl-pyrrolidin-2-ylidene)-acetic acid, t-butyl ester
Alternate Name(s) tert-Butyl (2E)-cyano(5-cyano-4,4,5-trimethyl-2-pyrrolidinylidene)ethanoate tert-Butyl (2E)-2-cyano-2-(5-cyano-4,4,5-trimethylpyrrolidin-2-ylidene)acetate
CAS Registry Number 72812-10-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3O2
InChI InChI=1S/C15H21N3O2/c1-13(2,3)20-12(19)10(8-16)11-7-14(4,5)15(6,9-17)18-11/h18H,7H2,1-6H3/b11-10+
InChIKey PUIJIFDURUUUES-ZHACJKMWSA-N
Molecular Weight 275.352 g/mol
SMILES N1\C(CC(C1(C#N)C)(C)C)=C/(C#N)C(=O)OC(C)(C)C
SPLASH splash10-0ldi-8790000000-9af2d0e2ce713b08fd86
Wiley ID 1482196