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14,15-(dimethylmalonyl)-2,6-dithia-14,15-diaza[7.2]metavyvlophane
SpectraBase Compound ID 3LgRbjtxPD3
InChI InChI=1S/C22H24N2O2S2/c1-22(2)20(25)23-18-8-3-6-16(12-18)14-27-10-5-11-28-15-17-7-4-9-19(13-17)24(23)21(22)26/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3
InChIKey VISSGSBQPPTGOG-UHFFFAOYSA-N
Mol Weight 412.57 g/mol
Molecular Formula C22H24N2O2S2
Exact Mass 412.12792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hq4cYSS2BBE
Name 14,15-(dimethylmalonyl)-2,6-dithia-14,15-diaza[7.2]metavyvlophane
CAS Registry Number 121029-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O2S2
InChI InChI=1S/C22H24N2O2S2/c1-22(2)20(25)23-18-8-3-6-16(12-18)14-27-10-5-11-28-15-17-7-4-9-19(13-17)24(23)21(22)26/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3
InChIKey VISSGSBQPPTGOG-UHFFFAOYSA-N
Molecular Weight 412.566 g/mol
SMILES C1(N2N(C(C1(C)C)=O)c1cc(CSCCCSCc3cc2ccc3)ccc1)=O
SPLASH splash10-08fr-2324900000-ccc457557606ffe74e51
Source of Spectrum K-122-1933-4
Synonyms 4,4-Dimethyl-13,17-dithia-2,6-diazatetracyclo[17.3.1.1(7,11).0(2,6)]tetracosa-1(23),7(24),8,10,19,21-hexaene-3,5-dione
Wiley ID 1374411