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9,19-Dithia-2,3-diazatricyclo[19.2.2.24,7]heptacosa-2,4,6,21,23,24,26-heptaene, (E)-
SpectraBase Compound ID Hbtz2FHPmsw
InChI InChI=1S/C23H30N2S2/c1-2-4-6-16-26-18-20-8-12-22(13-9-20)24-25-23-14-10-21(11-15-23)19-27-17-7-5-3-1/h8-15H,1-7,16-19H2/b25-24-
InChIKey PQIJOJLJSZLMCP-IZHYLOQSSA-N
Mol Weight 398.63 g/mol
Molecular Formula C23H30N2S2
Exact Mass 398.185041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kNYTpvQA1Q
Name 9,19-Dithia-2,3-diazatricyclo[19.2.2.24,7]heptacosa-2,4,6,21,23,24,26-heptaene, (E)-
CAS Registry Number 114038-84-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2S2
InChI InChI=1S/C23H30N2S2/c1-2-4-6-16-26-18-20-8-12-22(13-9-20)24-25-23-14-10-21(11-15-23)19-27-17-7-5-3-1/h8-15H,1-7,16-19H2/b25-24-
InChIKey PQIJOJLJSZLMCP-IZHYLOQSSA-N
Molecular Weight 398.627 g/mol
SMILES c12\N=N/c3ccc(CSCCCCCCCCCSCc(cc2)cc1)cc3
SPLASH splash10-0535-6957000000-223c7edc9a2641fde334
Source of Spectrum F-43-3794-3
Synonyms 2,12-Dithia-20,21-diaza(13,2)paracyclophane-20-ene 2,12-Dithia-20,21-diaza[13.2]paracyclophane-20-ene 9,19-dithia-2,3-diazatricyclo[19.2.2.2(4,7)]heptacosa-1(23),2,4,6,21,24,26-heptaene
Wiley ID 1368495