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7,10,21,24-Tetraza-31-oxa-2-thia-29,33-dimethyl-9,22-bis(isopropyl)pentacyclo[24.3.1.3(3,5).1(4,27).0(13,18)]tetratriconta-1(27),3,5(32),13,15,17,26,29,33-nonaen-8,11,20,23-tetroxid
SpectraBase Compound ID HqTKMkGVq1g
InChI InChI=1S/C36H42N4O7S/c1-19(2)31-35(43)37-17-25-11-21(5)13-27-33(25)47-34-26(12-22(6)14-28(34)48(27,45)46)18-38-36(44)32(20(3)4)40-30(42)16-24-10-8-7-9-23(24)15-29(41)39-31/h7-14,19-20,31-32H,15-18H2,1-6H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKey KXVIHSKPPXTUKR-UHFFFAOYSA-N
Mol Weight 674.8 g/mol
Molecular Formula C36H42N4O7S
Exact Mass 674.277421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BHlHto7umy
Name 7,10,21,24-Tetraza-31-oxa-2-thia-29,33-dimethyl-9,22-bis(isopropyl)pentacyclo[24.3.1.3(3,5).1(4,27).0(13,18)]tetratriconta-1(27),3,5(32),13,15,17,26,29,33-nonaen-8,11,20,23-tetroxid
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Formula C36H42N4O7S
InChI InChI=1S/C36H42N4O7S/c1-19(2)31-35(43)37-17-25-11-21(5)13-27-33(25)47-34-26(12-22(6)14-28(34)48(27,45)46)18-38-36(44)32(20(3)4)40-30(42)16-24-10-8-7-9-23(24)15-29(41)39-31/h7-14,19-20,31-32H,15-18H2,1-6H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKey KXVIHSKPPXTUKR-UHFFFAOYSA-N
Molecular Weight 674.813 g/mol
SMILES N1Cc2c3c(S(c4c(c(CNC(C(NC(Cc5ccccc5CC(NC(C1=O)C(C)C)=O)=O)C(C)C)=O)cc(c4)C)O3)(=O)=O)cc(c2)C
SPLASH splash10-00fr-0000009000-cb092298b2e48f2b526c
Source of Spectrum F-49-10840-3
Synonyms 9,22-diisopropyl-3,28-dimethyl-32-oxa-34-thia-7,10,21,24-tetraazapentacyclo[28.3.1.0(5,33).0(13,18).0(26,31)]tetratriaconta-1(33),2,4,13,15,17,26,28,30-nonaene-8,11,20,23-tetrone 34,34-dioxide
Wiley ID 788875