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17,17,18,18-tetradehydro-8-methoxy-1,10-bis(p-tolylsulphonyl0-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane

View entire compound with spectra: 1 MS (GC)

17,17,18,18-tetradehydro-8-methoxy-1,10-bis(p-tolylsulphonyl0-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
SpectraBase Compound ID 4KkGFrNHKIG
InChI InChI=1S/C37H32N2O5S2/c1-27-15-21-33(22-16-27)45(40,41)38-25-31-11-8-12-32(37(31)44-3)26-39(46(42,43)34-23-17-28(2)18-24-34)36-14-7-5-10-30(36)20-19-29-9-4-6-13-35(29)38/h4-18,21-24H,25-26H2,1-3H3
InChIKey NORTVHMVXVZNEI-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C37H32N2O5S2
Exact Mass 648.175264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOi4QmtRPoU
Name 17,17,18,18-tetradehydro-8-methoxy-1,10-bis(p-tolylsulphonyl0-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
CAS Registry Number 131298-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H32N2O5S2
InChI InChI=1S/C37H32N2O5S2/c1-27-15-21-33(22-16-27)45(40,41)38-25-31-11-8-12-32(37(31)44-3)26-39(46(42,43)34-23-17-28(2)18-24-34)36-14-7-5-10-30(36)20-19-29-9-4-6-13-35(29)38/h4-18,21-24H,25-26H2,1-3H3
InChIKey NORTVHMVXVZNEI-UHFFFAOYSA-N
Molecular Weight 648.792 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)c2c(C#Cc3c(N(Cc4c(c1ccc4)OC)S(c1ccc(cc1)C)(=O)=O)cccc3)cccc2
SPLASH splash10-000f-0005900000-05dfe879f45475584ac4
Source of Spectrum K-124-1226-7
Synonyms 24-Methoxy-3,18-bis[(4-methylphenyl)sulfonyl]-3,18-diazatetracyclo[18.3.1.0(4,9).0(12,17)]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-10-yne 3,18-bis[(4-methylphenyl)sulfonyl]-3,18-diazatetracyclo[18.3.1.0(4,9).0(12,17)]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaen-10-yn-24-yl methyl ether
Wiley ID 1413032