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5,8:25,28-Dietheno-1H,9H,24H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacyclohexacosine-1,3(2H)-dione, 11,12,13,14,15,16,17,18,19,20,21,22-dodecahydro-2,2-dimethyl-

View entire compound with spectra: 1 MS (GC)

5,8:25,28-Dietheno-1H,9H,24H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacyclohexacosine-1,3(2H)-dione, 11,12,13,14,15,16,17,18,19,20,21,22-dodecahydro-2,2-dimethyl-
SpectraBase Compound ID 2GMSrZxZYdp
InChI InChI=1S/C31H42N2O2S2/c1-31(2)29(34)32-27-17-13-25(14-18-27)23-36-21-11-9-7-5-3-4-6-8-10-12-22-37-24-26-15-19-28(20-16-26)33(32)30(31)35/h13-20H,3-12,21-24H2,1-2H3
InChIKey CEKMGGHABUMWLZ-UHFFFAOYSA-N
Mol Weight 538.8 g/mol
Molecular Formula C31H42N2O2S2
Exact Mass 538.268771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OSKwH5Ifxc
Name 5,8:25,28-Dietheno-1H,9H,24H-pyrazolo[1,2-g][1,14,7,8]dithiadiazacyclohexacosine-1,3(2H)-dione, 11,12,13,14,15,16,17,18,19,20,21,22-dodecahydro-2,2-dimethyl-
CAS Registry Number 114038-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42N2O2S2
InChI InChI=1S/C31H42N2O2S2/c1-31(2)29(34)32-27-17-13-25(14-18-27)23-36-21-11-9-7-5-3-4-6-8-10-12-22-37-24-26-15-19-28(20-16-26)33(32)30(31)35/h13-20H,3-12,21-24H2,1-2H3
InChIKey CEKMGGHABUMWLZ-UHFFFAOYSA-N
Molecular Weight 538.809 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1ccc(CSCCCCCCCCCCCCSCc3ccc2cc3)cc1)=O
SPLASH splash10-0019-0901080000-06838e415d7d6209a10f
Source of Spectrum F-43-3794-7
Synonyms N,N'-Dimethylmalonyl-2,15-dithia-23,24-diaza(16,2)paracyclophane N,N'-dimethylmalonyl-2,15-dithia-23,24-diaza[16.2]paracyclophane
Wiley ID 1404354