4-Amino3,5,5-tricyano-1-[(-)-(1'S,2'R,4'S)-bornyloxycarbonyl]-2-methyl-6-phenylcyclohexadiene

SpectraBase Compound ID	CvWMQ7oxKvS
InChI	InChI=1S/C27H28N4O2/c1-16-19(13-28)23(31)27(14-29,15-30)22(17-8-6-5-7-9-17)21(16)24(32)33-20-12-18-10-11-26(20,4)25(18,2)3/h5-9,18,20,22H,10-12,31H2,1-4H3/t18-,20-,22?,26+/m1/s1
InChIKey	ODSJYJBVDRLRKX-MGTFPBKRSA-N Google Search
Mol Weight	440.55 g/mol
Molecular Formula	C27H28N4O2
Exact Mass	440.221226 g/mol

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SpectraBase Spectrum ID	DNWnc7hp2w1
Name	4-Amino3,5,5-tricyano-1-[(-)-(1'S,2'R,4'S)-bornyloxycarbonyl]-2-methyl-6-phenylcyclohexadiene
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H28N4O2
InChI	InChI=1S/C27H28N4O2/c1-16-19(13-28)23(31)27(14-29,15-30)22(17-8-6-5-7-9-17)21(16)24(32)33-20-12-18-10-11-26(20,4)25(18,2)3/h5-9,18,20,22H,10-12,31H2,1-4H3/t18-,20-,22?,26+/m1/s1
InChIKey	ODSJYJBVDRLRKX-MGTFPBKRSA-N
Molecular Weight	440.547 g/mol
SMILES	NC1=C(C#N)C(=C(C(C1(C#N)C#N)c1ccccc1)C(O[C@]1([C@]2(C(C)(C)[C@@](C1)(CC2)[H])C)[H])=O)C
SPLASH	splash10-053i-9540000000-bac0708e392a05e4467b
Source of Spectrum	F-50-3520-8
Synonyms	(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-amino-3,5,5-tricyano-2-methyl-6-phenyl-1,3-cyclohexadiene-1-carboxylate
Wiley ID	1384801