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2,6-Dithia-14,15-diaza[7.2]metacyclophan-14-ene
SpectraBase Compound ID AHk4GwtAujJ
InChI InChI=1S/C17H18N2S2/c1-4-14-10-16(6-1)18-19-17-7-2-5-15(11-17)13-21-9-3-8-20-12-14/h1-2,4-7,10-11H,3,8-9,12-13H2/b19-18-
InChIKey AKCLMUSLXLPJDF-HNENSFHCSA-N
Mol Weight 314.47 g/mol
Molecular Formula C17H18N2S2
Exact Mass 314.091141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VRLSECUmMX
Name 2,6-Dithia-14,15-diaza[7.2]metacyclophan-14-ene
Alternate Name(s) 10,14-dithia-2,3-diazatricyclo[14.3.1.1(4,8)]henicosa-1(20),2,4(21),5,7,16,18-heptaene
CAS Registry Number 121012-97-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2S2
InChI InChI=1S/C17H18N2S2/c1-4-14-10-16(6-1)18-19-17-7-2-5-15(11-17)13-21-9-3-8-20-12-14/h1-2,4-7,10-11H,3,8-9,12-13H2/b19-18-
InChIKey AKCLMUSLXLPJDF-HNENSFHCSA-N
Molecular Weight 314.465 g/mol
SMILES c12\N=N/c3cc(CSCCCSCc(c2)ccc1)ccc3
SPLASH splash10-03yl-4905000000-e562acc96da325b8ff2d
Source of Spectrum K-122-1933-5
Wiley ID 1315018