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5,8:22,25-Dietheno-1H,9H,11H,21H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacyclotricosine-1,3(2H)-dione, 12,13,14,15,16,17,18,19-octahydro-2,2-dimethyl-
SpectraBase Compound ID 50rPpDKUoz
InChI InChI=1S/C28H36N2O2S2/c1-28(2)26(31)29-24-14-10-22(11-15-24)20-33-18-8-6-4-3-5-7-9-19-34-21-23-12-16-25(17-13-23)30(29)27(28)32/h10-17H,3-9,18-21H2,1-2H3
InChIKey DNKDDSWALRIFHQ-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C28H36N2O2S2
Exact Mass 496.221821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2G4afLjHE88
Name 5,8:22,25-Dietheno-1H,9H,11H,21H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacyclotricosine-1,3(2H)-dione, 12,13,14,15,16,17,18,19-octahydro-2,2-dimethyl-
CAS Registry Number 114038-73-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O2S2
InChI InChI=1S/C28H36N2O2S2/c1-28(2)26(31)29-24-14-10-22(11-15-24)20-33-18-8-6-4-3-5-7-9-19-34-21-23-12-16-25(17-13-23)30(29)27(28)32/h10-17H,3-9,18-21H2,1-2H3
InChIKey DNKDDSWALRIFHQ-UHFFFAOYSA-N
Molecular Weight 496.728 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1ccc(CSCCCCCCCCCSCc3ccc2cc3)cc1)=O
SPLASH splash10-000t-0901500000-d2278c34445fb7260b13
Source of Spectrum F-43-3794-7
Synonyms 4,4-Dimethyl-12,22-dithia-2,6-diazatetracyclo[22.2.2.2(7,10).0(2,6)]triaconta-1(26),7,9,24,27,29-hexaene-3,5-dione N,N'-dimethylmalonyl-2,12-dithia-20,21-diaza(13,2)paracyclophane N,N'-dimethylmalonyl-2,12-dithia-20,21-diaza[13.2]paracyclophane
Wiley ID 1398272