For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2,4,6,8,10,12-Hexa(4-trifluoromethylbenzyl)-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(5,9).0(3,11)]dodecane
SpectraBase Compound ID 5hDpbNQsjzT
InChI InChI=1S/C54H42F18N6/c55-49(56,57)37-13-1-31(2-14-37)25-73-43-45-74(26-32-3-15-38(16-4-32)50(58,59)60)46-44(73)76(28-34-7-19-40(20-8-34)52(64,65)66)48(78(46)30-36-11-23-42(24-12-36)54(70,71)72)47(75(43)27-33-5-17-39(18-6-33)51(61,62)63)77(45)29-35-9-21-41(22-10-35)53(67,68)69/h1-24,43-48H,25-30H2
InChIKey DFVYDYRAPOVOOR-UHFFFAOYSA-N
Mol Weight 1116.9 g/mol
Molecular Formula C54H42F18N6
Exact Mass 1116.318352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LQIumNovhSu
Name 2,4,6,8,10,12-Hexa(4-trifluoromethylbenzyl)-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(5,9).0(3,11)]dodecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H42F18N6
InChI InChI=1S/C54H42F18N6/c55-49(56,57)37-13-1-31(2-14-37)25-73-43-45-74(26-32-3-15-38(16-4-32)50(58,59)60)46-44(73)76(28-34-7-19-40(20-8-34)52(64,65)66)48(78(46)30-36-11-23-42(24-12-36)54(70,71)72)47(75(43)27-33-5-17-39(18-6-33)51(61,62)63)77(45)29-35-9-21-41(22-10-35)53(67,68)69/h1-24,43-48H,25-30H2
InChIKey DFVYDYRAPOVOOR-UHFFFAOYSA-N
Molecular Weight 1116.943 g/mol
SMILES C12N(C3N(C4N(C2N(C4N(C3N1Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F)Cc1ccc(cc1)C(F)(F)F
SPLASH splash10-0a4i-0900000007-530270a96ab887189292
Source of Spectrum QF-9-692-1
Synonyms 2,4,6,8,10,12-hexakis({[4-(trifluoromethyl)phenyl]methyl})-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(3,11).0(5,9)]dodecane
Wiley ID 1558231