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3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 6,8,18-trimethyl-3,11-bis[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID AsA9Sa3nOtr
InChI InChI=1S/C33H36N2O4S2/c1-23-9-13-30(14-10-23)40(36,37)34-19-28-7-6-8-29(18-28)20-35(41(38,39)31-15-11-24(2)12-16-31)22-33-26(4)17-25(3)32(21-34)27(33)5/h6-18H,19-22H2,1-5H3
InChIKey YFGJOFIAWJISDR-UHFFFAOYSA-N
Mol Weight 588.8 g/mol
Molecular Formula C33H36N2O4S2
Exact Mass 588.21165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIqKMfOF9ga
Name 3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 6,8,18-trimethyl-3,11-bis[(4-methylphenyl)sulfonyl]-
Alternate Name(s) 6,8,18-trimethyl-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-2,4,6-trimethyl-2,11-diaza[3.3]metacyclophane
CAS Registry Number 123000-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36N2O4S2
InChI InChI=1S/C33H36N2O4S2/c1-23-9-13-30(14-10-23)40(36,37)34-19-28-7-6-8-29(18-28)20-35(41(38,39)31-15-11-24(2)12-16-31)22-33-26(4)17-25(3)32(21-34)27(33)5/h6-18H,19-22H2,1-5H3
InChIKey YFGJOFIAWJISDR-UHFFFAOYSA-N
Molecular Weight 588.781 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2cc(CN(Cc3c(c1c(cc3C)C)C)S(c1ccc(cc1)C)(=O)=O)ccc2
SPLASH splash10-001i-0312900000-5e7392acb14e75cb267e
Source of Spectrum O-24-265-10
Wiley ID 1409191