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2,7-Di(t-Butyl)-3,20 : 6,9-di(epi)-thio-10,13 ; 16, 19-diimino-1,8-diaza[20]annulene
SpectraBase Compound ID DeCcvlPmFAQ
InChI InChI=1S/C26H28N4S2/c1-25(2,3)21-19-13-14-20-22(26(4,5)6)30-24(32-20)18-12-10-16(28-18)8-7-15-9-11-17(27-15)23(29-21)31-19/h7-14,27-28H,1-6H3/b8-7-,14-13-,15-7-,16-8-,19-13-,20-14-,23-17-,24-18-
InChIKey FOURKMRFEIUJPN-ZJMSDCELSA-N
Mol Weight 460.66 g/mol
Molecular Formula C26H28N4S2
Exact Mass 460.175539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVCZxHHLr1f
Name 2,7-Di(t-Butyl)-3,20 : 6,9-di(epi)-thio-10,13 ; 16, 19-diimino-1,8-diaza[20]annulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4S2
InChI InChI=1S/C26H28N4S2/c1-25(2,3)21-19-13-14-20-22(26(4,5)6)30-24(32-20)18-12-10-16(28-18)8-7-15-9-11-17(27-15)23(29-21)31-19/h7-14,27-28H,1-6H3/b8-7-,14-13-,15-7-,16-8-,19-13-,20-14-,23-17-,24-18-
InChIKey FOURKMRFEIUJPN-ZJMSDCELSA-N
Molecular Weight 460.658 g/mol
SMILES [nH]1c2-c3nc(c(\C=C/c4c(nc(-c5ccc(\C=C/c1cc2)[nH]5)s4)C(C)(C)C)s3)C(C)(C)C
SPLASH splash10-03di-0000900000-46a09cb232557995a7c5
Source of Spectrum K1-2000-2455-10
Synonyms 4,9-Ditert-butyl-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
Wiley ID 750059