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3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene, 3,11-bis(p-tolylsulfonyl)-
SpectraBase Compound ID 9PRYWvbLKT
InChI InChI=1S/C30H30N2O4S2/c1-23-9-13-29(14-10-23)37(33,34)31-19-25-5-3-7-27(17-25)21-32(22-28-8-4-6-26(18-28)20-31)38(35,36)30-15-11-24(2)12-16-30/h3-18H,19-22H2,1-2H3
InChIKey MIQBAMCAQVGYLW-UHFFFAOYSA-N
Mol Weight 546.7 g/mol
Molecular Formula C30H30N2O4S2
Exact Mass 546.1647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7P7krrkfeYK
Name 3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaene, 3,11-bis(p-tolylsulfonyl)-
Alternate Name(s) 3,11-Diazatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 3,11-bis[(4-methylphenyl)sulfonyl]- 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-2,11-diaza[3.3]metacyclophane
CAS Registry Number 25894-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N2O4S2
InChI InChI=1S/C30H30N2O4S2/c1-23-9-13-29(14-10-23)37(33,34)31-19-25-5-3-7-27(17-25)21-32(22-28-8-4-6-26(18-28)20-31)38(35,36)30-15-11-24(2)12-16-30/h3-18H,19-22H2,1-2H3
InChIKey MIQBAMCAQVGYLW-UHFFFAOYSA-N
Molecular Weight 546.700 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2cc(CN(Cc3cc1ccc3)S(c1ccc(cc1)C)(=O)=O)ccc2
SPLASH splash10-0006-1958010000-a65414e0d4598179279e
Source of Spectrum O-24-259-1
Wiley ID 1405249