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3,10-Diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene, 3,10-bis[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID HqWHy7HWMJY
InChI InChI=1S/C30H30N2O4S2/c1-23-3-15-29(16-4-23)37(33,34)31-19-25-7-11-27(12-8-25)21-32(22-28-13-9-26(20-31)10-14-28)38(35,36)30-17-5-24(2)6-18-30/h3-18H,19-22H2,1-2H3
InChIKey AUUSUIQZDQLDMJ-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 9fLjeXJHytj
Name 3,10-Diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene, 3,10-bis[(4-methylphenyl)sulfonyl]-
Alternate Name(s) 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-2,11-diaza[3.3]paracyclophane
CAS Registry Number 97954-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N2O4S2
InChI InChI=1S/C30H30N2O4S2/c1-23-3-15-29(16-4-23)37(33,34)31-19-25-7-11-27(12-8-25)21-32(22-28-13-9-26(20-31)10-14-28)38(35,36)30-17-5-24(2)6-18-30/h3-18H,19-22H2,1-2H3
InChIKey AUUSUIQZDQLDMJ-UHFFFAOYSA-N
Molecular Weight 546.700 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)Cc2ccc(CN(Cc3ccc1cc3)S(c1ccc(cc1)C)(=O)=O)cc2
SPLASH splash10-0006-0229000000-eeae8a0e68e3657f43fc
Source of Spectrum O-24-259-1
Wiley ID 1405250