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2-Cyclopentene-1-carboxylic acid, 2-amino-3-cyano-4,5-di-4-pyridinyl-, ethyl ester, (1.alpha.,4.alpha.,5.beta.)-
SpectraBase Compound ID CoVDGEzX1XO
InChI InChI=1S/C19H18N4O2/c1-2-25-19(24)17-16(13-5-9-23-10-6-13)15(14(11-20)18(17)21)12-3-7-22-8-4-12/h3-10,15-17H,2,21H2,1H3/t15-,16-,17-/m1/s1
InChIKey XRRJBXIAAACXEJ-BRWVUGGUSA-N
Mol Weight 334.38 g/mol
Molecular Formula C19H18N4O2
Exact Mass 334.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO6Vjqp2Klt
Name 2-Cyclopentene-1-carboxylic acid, 2-amino-3-cyano-4,5-di-4-pyridinyl-, ethyl ester, (1.alpha.,4.alpha.,5.beta.)-
CAS Registry Number 63080-74-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N4O2
InChI InChI=1S/C19H18N4O2/c1-2-25-19(24)17-16(13-5-9-23-10-6-13)15(14(11-20)18(17)21)12-3-7-22-8-4-12/h3-10,15-17H,2,21H2,1H3/t15-,16-,17-/m1/s1
InChIKey XRRJBXIAAACXEJ-BRWVUGGUSA-N
Molecular Weight 334.379 g/mol
SMILES NC1=C([C@]([C@@](c2ccncc2)([C@]1(C(=O)OCC)[H])[H])(c1ccncc1)[H])C#N
SPLASH splash10-03e9-0096000000-bee122dea69f6a875856
Source of Spectrum H-60-628-0
Synonyms (3R*,4R*,5R*)-1-amino-2-cyano-3,4-di(4-pyridyl)-5-ethoxycarbonyl-1-cyclopentene Ethyl (1R,4R,5R)-2-amino-3-cyano-4,5-di(4-pyridinyl)-2-cyclopentene-1-carboxylate
Wiley ID 1330942