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1,2-Benzenedicarbonitrile, 4-nitro-5-(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)-
SpectraBase Compound ID 9PoXnKHt3Ht
InChI InChI=1S/C22H25N5O2/c23-13-18-8-20(21(27(28)29)9-19(18)14-24)25-1-3-26(4-2-25)22-10-15-5-16(11-22)7-17(6-15)12-22/h8-9,15-17H,1-7,10-12H2/t15-,16+,17-,22-
InChIKey PHSYVHQQWOOSCE-OMOYSXNNSA-N
Mol Weight 391.48 g/mol
Molecular Formula C22H25N5O2
Exact Mass 391.200825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3mh73iAf99
Name 1,2-Benzenedicarbonitrile, 4-nitro-5-(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)-
Alternate Name(s) 4-[4-(1-adamantyl)-1-piperazinyl]-5-nitrobenzene-1,2-dicarbonitrile 4-[4-(1-adamantyl)piperazin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile 4-[4-(1-adamantyl)piperazin-1-yl]-5-nitro-phthalonitrile 4-[4-(1-adamantyl)piperazin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N5O2
InChI InChI=1S/C22H25N5O2/c23-13-18-8-20(21(27(28)29)9-19(18)14-24)25-1-3-26(4-2-25)22-10-15-5-16(11-22)7-17(6-15)12-22/h8-9,15-17H,1-7,10-12H2/t15-,16+,17-,22-
InChIKey PHSYVHQQWOOSCE-OMOYSXNNSA-N
Molecular Weight 391.475 g/mol
SMILES C1[C@]2(C[C@@]3(C[C@](C2)(CC1(N1CCN(CC1)c1cc(C#N)c(C#N)cc1N(=O)=O)C3)[H])[H])[H]
SPLASH splash10-000i-4911000000-cd7022e784895204ecf4
Source of Spectrum IY-1-4476-3
Wiley ID 1652746