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3,9-Dihexyl-4-cyano-1,11-dimethyl-3,9-diazatricyclo[6.4.0.2(2,5)]dodec-11-ene
SpectraBase Compound ID CpBCUaw9f8Y
InChI InChI=1S/C25H43N3/c1-5-7-9-11-14-27-16-13-22-21-17-20(3)24(25(22,4)19-27)28(23(21)18-26)15-12-10-8-6-2/h17,21-24H,5-16,19H2,1-4H3/t21-,22+,23-,24+,25+/m1/s1
InChIKey CUTWRQISFXHBDE-KJWQXZETSA-N
Mol Weight 385.6 g/mol
Molecular Formula C25H43N3
Exact Mass 385.345698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pmCen0dM2F
Name 3,9-Dihexyl-4-cyano-1,11-dimethyl-3,9-diazatricyclo[6.4.0.2(2,5)]dodec-11-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H43N3
InChI InChI=1S/C25H43N3/c1-5-7-9-11-14-27-16-13-22-21-17-20(3)24(25(22,4)19-27)28(23(21)18-26)15-12-10-8-6-2/h17,21-24H,5-16,19H2,1-4H3/t21-,22+,23-,24+,25+/m1/s1
InChIKey CUTWRQISFXHBDE-KJWQXZETSA-N
Molecular Weight 385.640 g/mol
SMILES [C@@]12([C@]3(N(CCCCCC)[C@@]([C@@]([C@@]2(CCN(C1)CCCCCC)[H])(C=C3C)[H])(C#N)[H])[H])C
SPLASH splash10-003r-0911000000-7c3a10b7f24f92518489
Source of Spectrum J-66-4901-15
Wiley ID 1535579