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2,12-di(t-Butyl)-3,20 : 10, 13-di(epi)-thio-6,9 ; 16, 19-diimino-1,11-diaza[20]annulene
SpectraBase Compound ID 4tCV4JleFaX
InChI InChI=1S/C26H28N4S2/c1-25(2,3)21-19-13-9-15-8-12-18(28-15)24-30-22(26(4,5)6)20(32-24)14-10-16-7-11-17(27-16)23(29-21)31-19/h7-14,27-28H,1-6H3/b13-9-,14-10-,15-9-,16-10-,19-13-,20-14-,23-17-,24-18-
InChIKey AFXHRGYJCLCULC-MRXWPIOZSA-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 7t3pnSyFg4F
Name 2,12-di(t-Butyl)-3,20 : 10, 13-di(epi)-thio-6,9 ; 16, 19-diimino-1,11-diaza[20]annulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N4S2
InChI InChI=1S/C26H28N4S2/c1-25(2,3)21-19-13-9-15-8-12-18(28-15)24-30-22(26(4,5)6)20(32-24)14-10-16-7-11-17(27-16)23(29-21)31-19/h7-14,27-28H,1-6H3/b13-9-,14-10-,15-9-,16-10-,19-13-,20-14-,23-17-,24-18-
InChIKey AFXHRGYJCLCULC-MRXWPIOZSA-N
Molecular Weight 460.658 g/mol
SMILES [nH]1c2\C=C/c3c(nc(-c4ccc(\C=C/c5c(nc(-c1cc2)s5)C(C)(C)C)[nH]4)s3)C(C)(C)C
SPLASH splash10-0w29-0000900000-e3dabab4f12ac034024c
Source of Spectrum K1-2000-2455-9
Synonyms 4,14-ditert-butyl-22,24-dithia-3,13,21,23-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 750060