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2,7-Diphenyl-3,20 : 6,9-di(epi)-thio-10,13 ; 16, 19-diimino-1,8-diaza[20]annulene
SpectraBase Compound ID LqGgc8bMplG
InChI InChI=1S/C30H20N4S2/c1-3-7-19(8-4-1)27-25-17-18-26-28(20-9-5-2-6-10-20)34-30(36-26)24-16-14-22(32-24)12-11-21-13-15-23(31-21)29(33-27)35-25/h1-18,31-32H/b12-11-,18-17-,21-11-,22-12-,25-17-,26-18-,29-23-,30-24-
InChIKey BHSBCJMJHYZIAP-NCNYWCIPSA-N
Mol Weight 500.64 g/mol
Molecular Formula C30H20N4S2
Exact Mass 500.112939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2PhVf6mFay
Name 2,7-Diphenyl-3,20 : 6,9-di(epi)-thio-10,13 ; 16, 19-diimino-1,8-diaza[20]annulene
Alternate Name(s) 4,9-Diphenyl-23,24-dithia-3,10,21,22-tetraazapentacyclo[16.2.1.1(2,5).1(8,11).1(12,15)]tetracosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H20N4S2
InChI InChI=1S/C30H20N4S2/c1-3-7-19(8-4-1)27-25-17-18-26-28(20-9-5-2-6-10-20)34-30(36-26)24-16-14-22(32-24)12-11-21-13-15-23(31-21)29(33-27)35-25/h1-18,31-32H/b12-11-,18-17-,21-11-,22-12-,25-17-,26-18-,29-23-,30-24-
InChIKey BHSBCJMJHYZIAP-NCNYWCIPSA-N
Molecular Weight 500.638 g/mol
SMILES [nH]1c2-c3nc(c(\C=C/c4c(nc(-c5ccc(\C=C/c1cc2)[nH]5)s4)-c1ccccc1)s3)-c1ccccc1
SPLASH splash10-0udi-0000090000-ba47e11891a64e147348
Source of Spectrum K1-2000-2455-10
Wiley ID 750056