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3,10-Diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene, 6,7,13,14,15,16,17,18-octamethyl-3,10-bis[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID Lokm9oBmE0m
InChI InChI=1S/C38H46N2O4S2/c1-23-11-15-33(16-12-23)45(41,42)39-19-35-25(3)29(7)37(30(8)26(35)4)21-40(46(43,44)34-17-13-24(2)14-18-34)22-38-31(9)27(5)36(20-39)28(6)32(38)10/h11-18H,19-22H2,1-10H3
InChIKey PEYSRFYJJUZXDC-UHFFFAOYSA-N
Mol Weight 658.9 g/mol
Molecular Formula C38H46N2O4S2
Exact Mass 658.2899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgsCGgbTahP
Name 3,10-Diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene, 6,7,13,14,15,16,17,18-octamethyl-3,10-bis[(4-methylphenyl)sulfonyl]-
CAS Registry Number 115078-32-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H46N2O4S2
InChI InChI=1S/C38H46N2O4S2/c1-23-11-15-33(16-12-23)45(41,42)39-19-35-25(3)29(7)37(30(8)26(35)4)21-40(46(43,44)34-17-13-24(2)14-18-34)22-38-31(9)27(5)36(20-39)28(6)32(38)10/h11-18H,19-22H2,1-10H3
InChIKey PEYSRFYJJUZXDC-UHFFFAOYSA-N
Molecular Weight 658.916 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2c(c(c(CN(Cc3c(c(c1c(c3C)C)C)C)S(c1ccc(cc1)C)(=O)=O)c(c2C)C)C)C
SPLASH splash10-08fr-0902000000-b0daecedaead6dc17d82
Source of Spectrum O-24-262-6
Synonyms 6,7,13,14,15,16,17,18-octamethyl-3,10-bis[(4-methylphenyl)sulfonyl]-3,10-diazatricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene N.N'-Ditosyl-2,2',3,3',5,5',6,6'-octamethyl-2,11-diaza[3.3]paracyclophane
Wiley ID 1413480