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5,8:19,22-Dietheno-1H,9H,18H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacycloeicosine-1,3(2H)-dione, 11,12,13,14,15,16-hexahydro-2,2-dimethyl-
SpectraBase Compound ID Bh6MImkaOWZ
InChI InChI=1S/C25H30N2O2S2/c1-25(2)23(28)26-16-6-4-3-5-7-17-30-21-12-14-22(15-13-21)31-18-19-8-10-20(11-9-19)27(26)24(25)29/h8-15H,3-7,16-18H2,1-2H3
InChIKey QVPHFWVLLVGQMK-UHFFFAOYSA-N
Mol Weight 454.65 g/mol
Molecular Formula C25H30N2O2S2
Exact Mass 454.174871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NmNhpYYFrD
Name 5,8:19,22-Dietheno-1H,9H,18H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacycloeicosine-1,3(2H)-dione, 11,12,13,14,15,16-hexahydro-2,2-dimethyl-
Alternate Name(s) 4,4-Dimethyl-14,19-dithia-2,6-diazatetracyclo[19.2.2.2(15,18).0(2,6)]heptacosa-1(23),15,17,21,24,26-hexaene-3,5-dione N,N'-dimethylmalonyl-2,9-dithia-17,18-diaza(10,2)paracyclophane N,N'-dimethylmalonyl-2,9-dithia-17,18-diaza[10.2]paracyclophane
CAS Registry Number 114038-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O2S2
InChI InChI=1S/C25H30N2O2S2/c1-25(2)23(28)26-16-6-4-3-5-7-17-30-21-12-14-22(15-13-21)31-18-19-8-10-20(11-9-19)27(26)24(25)29/h8-15H,3-7,16-18H2,1-2H3
InChIKey QVPHFWVLLVGQMK-UHFFFAOYSA-N
Molecular Weight 454.647 g/mol
SMILES C1(N2N(C(C1(C)C)=O)CCCCCCCSc1ccc(SCc3ccc2cc3)cc1)=O
SPLASH splash10-0f89-0920600000-bf56599e9834a6dbdac7
Source of Spectrum F-43-3794-7
Wiley ID 1388765