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2-(2-benzyl-2-adamantyl)malononitrile
SpectraBase Compound ID 9CXofcYIbg4
InChI InChI=1S/C20H22N2/c21-12-19(13-22)20(11-14-4-2-1-3-5-14)17-7-15-6-16(9-17)10-18(20)8-15/h1-5,15-19H,6-11H2/t15-,16+,17-,18+,20?
InChIKey DCCAKEOYKHRRJB-WRZFVABXSA-N
Mol Weight 290.41 g/mol
Molecular Formula C20H22N2
Exact Mass 290.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEmlccgXh3v
Name 2-(2-benzyl-2-adamantyl)malononitrile
Alternate Name(s) 2-(2-benzyl-2-adamantyl)propanedinitrile 2-[2-(phenylmethyl)-2-adamantyl]propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2
InChI InChI=1S/C20H22N2/c21-12-19(13-22)20(11-14-4-2-1-3-5-14)17-7-15-6-16(9-17)10-18(20)8-15/h1-5,15-19H,6-11H2/t15-,16+,17-,18+,20?
InChIKey DCCAKEOYKHRRJB-WRZFVABXSA-N
Molecular Weight 290.410 g/mol
SMILES C1([C@]2(C[C@]3(C[C@@]1(C[C@](C3)(C2)[H])[H])[H])[H])(C(C#N)C#N)Cc1ccccc1
SPLASH splash10-0006-9350000000-334903ff1eb2e26f7735
Source of Spectrum KC-0-2387-5
Wiley ID 828874