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2-Cyclopentene-1,1,3-tricarbonitrile, 2-amino-4,5-di-4-pyridinyl-, trans-
SpectraBase Compound ID D8aicYb8p8X
InChI InChI=1S/C18H12N6/c19-9-14-15(12-1-5-23-6-2-12)16(13-3-7-24-8-4-13)18(10-20,11-21)17(14)22/h1-8,15-16H,22H2/t15-,16+/m1/s1
InChIKey PXUXQQZRXGHKJY-CVEARBPZSA-N
Mol Weight 312.34 g/mol
Molecular Formula C18H12N6
Exact Mass 312.112344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Ve86tX2Gw
Name 2-Cyclopentene-1,1,3-tricarbonitrile, 2-amino-4,5-di-4-pyridinyl-, trans-
Alternate Name(s) (3R*,4R*)-1-amino-2,5,5-tricyano-3,4-di(4-pyridyl)-1-cyclopentene (4R,5R)-2-amino-4,5-di(4-pyridinyl)-2-cyclopentene-1,1,3-tricarbonitrile
CAS Registry Number 63080-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N6
InChI InChI=1S/C18H12N6/c19-9-14-15(12-1-5-23-6-2-12)16(13-3-7-24-8-4-13)18(10-20,11-21)17(14)22/h1-8,15-16H,22H2/t15-,16+/m1/s1
InChIKey PXUXQQZRXGHKJY-CVEARBPZSA-N
Molecular Weight 312.336 g/mol
SMILES NC1=C(C#N)[C@]([C@@](C1(C#N)C#N)(c1ccncc1)[H])(c1ccncc1)[H]
SPLASH splash10-03di-0229000000-3ade972020f80f4bd18a
Source of Spectrum H-60-628-0
Wiley ID 1313292