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5,8:15,18-Dietheno-1H,9H,14H-pyrazolo[1,2-j][1,4,10,11]dithiadiazacyclohexadecine-1,3(2H)-dione, 11,12-dihydro-2,2-dimethyl-

View entire compound with spectra: 1 MS (GC)

5,8:15,18-Dietheno-1H,9H,14H-pyrazolo[1,2-j][1,4,10,11]dithiadiazacyclohexadecine-1,3(2H)-dione, 11,12-dihydro-2,2-dimethyl-
SpectraBase Compound ID GDSTDuJ7xXq
InChI InChI=1S/C21H22N2O2S2/c1-21(2)19(24)22-17-7-3-15(4-8-17)13-26-11-12-27-14-16-5-9-18(10-6-16)23(22)20(21)25/h3-10H,11-14H2,1-2H3
InChIKey GPQSGGLUZQGALK-UHFFFAOYSA-N
Mol Weight 398.54 g/mol
Molecular Formula C21H22N2O2S2
Exact Mass 398.11227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jma7giTW4ue
Name 5,8:15,18-Dietheno-1H,9H,14H-pyrazolo[1,2-j][1,4,10,11]dithiadiazacyclohexadecine-1,3(2H)-dione, 11,12-dihydro-2,2-dimethyl-
Alternate Name(s) 13,14-(dimethylmalonyl)-2,5-dithia-13,14-diaza[6.2]paracyclophane 4,4-Dimethyl-12,15-dithia-2,6-diazatetracyclo[15.2.2.2(7,10).0(2,6)]tricosa-1(19),7,9,17,20,22-hexaene-3,5-dione N,N'-dimethylmalonyl-2,5-dithia-13,14-diaza(6,2)paracyclophane N,N'-dimethylmalonyl-2,5-dithia-13,14-diaza[6.2]paracyclophane
CAS Registry Number 114038-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O2S2
InChI InChI=1S/C21H22N2O2S2/c1-21(2)19(24)22-17-7-3-15(4-8-17)13-26-11-12-27-14-16-5-9-18(10-6-16)23(22)20(21)25/h3-10H,11-14H2,1-2H3
InChIKey GPQSGGLUZQGALK-UHFFFAOYSA-N
Molecular Weight 398.539 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1ccc(CSCCSCc3ccc2cc3)cc1)=O
SPLASH splash10-000t-1915000000-2fb0c4105fae25c9f9e1
Source of Spectrum K-122-1507-13
Wiley ID 1368350