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

*Links on SpectraBase are not permalinks.

3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 6,8,14,16,17,18-hexamethyl-3,11-bis[(4-methylphenyl)sulfonyl]-

View entire compound with spectra: 1 MS (GC)

3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 6,8,14,16,17,18-hexamethyl-3,11-bis[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID 8uAnUtxyl4q
InChI InChI=1S/C36H42N2O4S2/c1-23-9-13-31(14-10-23)43(39,40)37-19-33-25(3)17-27(5)35(29(33)7)21-38(44(41,42)32-15-11-24(2)12-16-32)22-36-28(6)18-26(4)34(20-37)30(36)8/h9-18H,19-22H2,1-8H3
InChIKey MZHUWSSNWABTQF-UHFFFAOYSA-N
Mol Weight 630.9 g/mol
Molecular Formula C36H42N2O4S2
Exact Mass 630.2586 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 EVxFWYcZWX7
Name 3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 6,8,14,16,17,18-hexamethyl-3,11-bis[(4-methylphenyl)sulfonyl]-
Alternate Name(s) 6,8,14,16,17,18-hexamethyl-3,11-bis[(4-methylphenyl)sulfonyl]-3,11-diazatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene N,N'-ditosyl-2,2',4,4',6,6'-hexamethyl-2,11-diaza[3.3]metacyclophane
CAS Registry Number 123000-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42N2O4S2
InChI InChI=1S/C36H42N2O4S2/c1-23-9-13-31(14-10-23)43(39,40)37-19-33-25(3)17-27(5)35(29(33)7)21-38(44(41,42)32-15-11-24(2)12-16-32)22-36-28(6)18-26(4)34(20-37)30(36)8/h9-18H,19-22H2,1-8H3
InChIKey MZHUWSSNWABTQF-UHFFFAOYSA-N
Molecular Weight 630.862 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2c(c(CN(Cc3c(c1c(cc3C)C)C)S(c1ccc(cc1)C)(=O)=O)c(cc2C)C)C
SPLASH splash10-0002-0911200000-dc62fab62b32f058c826
Source of Spectrum O-24-265-11
Wiley ID 1412105