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2-Cyclopentene-1-carboximidic acid, 2-amino-1,3-dicyano-4,5-di-4-pyridinyl-, methyl ester
SpectraBase Compound ID 9uedLJ82E4k
InChI InChI=1S/C19H16N6O/c1-26-18(23)19(11-21)16(13-4-8-25-9-5-13)15(14(10-20)17(19)22)12-2-6-24-7-3-12/h2-9,15-16,23H,22H2,1H3/t15-,16+,19?/m1/s1
InChIKey QKJNJJLJIKSVTR-IEAUQHRDSA-N
Mol Weight 344.38 g/mol
Molecular Formula C19H16N6O
Exact Mass 344.138559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcW8CQP4rI0
Name 2-Cyclopentene-1-carboximidic acid, 2-amino-1,3-dicyano-4,5-di-4-pyridinyl-, methyl ester
CAS Registry Number 63080-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N6O
InChI InChI=1S/C19H16N6O/c1-26-18(23)19(11-21)16(13-4-8-25-9-5-13)15(14(10-20)17(19)22)12-2-6-24-7-3-12/h2-9,15-16,23H,22H2,1H3/t15-,16+,19?/m1/s1
InChIKey QKJNJJLJIKSVTR-IEAUQHRDSA-N
Molecular Weight 344.378 g/mol
SMILES NC=1C(C(=N)OC)([C@]([C@@](C1C#N)(c1ccncc1)[H])(c1ccncc1)[H])C#N
SPLASH splash10-01p9-2589000000-de99324cf2665b8d9a5e
Source of Spectrum H-60-628-0
Synonyms (3R*,4R*)-1-amino-2,5-dicyano-3,4-di(4-pyridyl)-5-(1-methoxy-1-iminomethyl)-1-cyclopentene Methyl (4R,5R)-2-amino-1,3-dicyano-4,5-di(4-pyridinyl)-2-cyclopentene-1-carboximidoate
Wiley ID 1337864