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17,17,18,18-tetradehydro-8-cyano-1,10-bis(p-tolylsulphonyl0-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
SpectraBase Compound ID Hoba6CBHjkU
InChI InChI=1S/C37H29N3O4S2/c1-27-14-20-33(21-15-27)45(41,42)39-25-31-10-7-11-32(35(31)24-38)26-40(46(43,44)34-22-16-28(2)17-23-34)37-13-6-4-9-30(37)19-18-29-8-3-5-12-36(29)39/h3-17,20-23H,25-26H2,1-2H3
InChIKey PYRUAUPUZCORCR-UHFFFAOYSA-N
Mol Weight 643.8 g/mol
Molecular Formula C37H29N3O4S2
Exact Mass 643.159949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Yar0MSF9HR
Name 17,17,18,18-tetradehydro-8-cyano-1,10-bis(p-tolylsulphonyl0-1,10-diaza[2](1,3)benzeno[2](1,2)benzeno[2](1,2)benzenophane
CAS Registry Number 131298-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H29N3O4S2
InChI InChI=1S/C37H29N3O4S2/c1-27-14-20-33(21-15-27)45(41,42)39-25-31-10-7-11-32(35(31)24-38)26-40(46(43,44)34-22-16-28(2)17-23-34)37-13-6-4-9-30(37)19-18-29-8-3-5-12-36(29)39/h3-17,20-23H,25-26H2,1-2H3
InChIKey PYRUAUPUZCORCR-UHFFFAOYSA-N
Molecular Weight 643.776 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)c2c(C#Cc3c(N(Cc4c(c1ccc4)C#N)S(c1ccc(cc1)C)(=O)=O)cccc3)cccc2
SPLASH splash10-00di-0001902000-c3a17694bdcff3c2198c
Source of Spectrum K-124-1226-7
Synonyms 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-24-carbonitrile
Wiley ID 1412788