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Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene-6,17-diacetonit rile, 13,15-bis(dimethylamino)-, stereoisomer
SpectraBase Compound ID HRiG3lpmaQv
InChI InChI=1S/C26H32N4/c1-29(2)25-17-24-10-6-8-20-16-21(11-13-27)19(15-22(20)12-14-28)7-5-9-23(25)18-26(24)30(3)4/h15-18H,5-12H2,1-4H3
InChIKey XPMAGGKXCHBFOQ-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H32N4
Exact Mass 400.262697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1s6T797XFY
Name Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene-6,17-diacetonit rile, 13,15-bis(dimethylamino)-, stereoisomer
CAS Registry Number 87387-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N4
InChI InChI=1S/C26H32N4/c1-29(2)25-17-24-10-6-8-20-16-21(11-13-27)19(15-22(20)12-14-28)7-5-9-23(25)18-26(24)30(3)4/h15-18H,5-12H2,1-4H3
InChIKey XPMAGGKXCHBFOQ-UHFFFAOYSA-N
Molecular Weight 400.570 g/mol
SMILES c1(cc2CCCc3c(cc(CCCc1cc2N(C)C)c(c3)CC#N)CC#N)N(C)C
SPLASH splash10-0udi-0000900000-966595759738f65e2d92
Source of Spectrum K-116-2845-0
Synonyms 14,17-bis(dimethylaminoamino)[3.3]paracyclophan-5,8-diacetonitrile [17-(cyanomethyl)-13,15-bis(dimethylamino)tricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaen-6-yl]acetonitrile
Wiley ID 1369633