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2,5-Dithia-13,14-diaza[6.2]metacyclophan-13-ene
SpectraBase Compound ID F6ZNeIQ7UvS
InChI InChI=1S/C16H16N2S2/c1-3-13-9-15(5-1)17-18-16-6-2-4-14(10-16)12-20-8-7-19-11-13/h1-6,9-10H,7-8,11-12H2/b18-17-
InChIKey YVJMOZGVRWNFLK-ZCXUNETKSA-N
Mol Weight 300.44 g/mol
Molecular Formula C16H16N2S2
Exact Mass 300.075491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Zhj4NhR4nY
Name 2,5-Dithia-13,14-diaza[6.2]metacyclophan-13-ene
Alternate Name(s) 10,13-dithia-2,3-diazatricyclo[13.3.1.1(4,8)]icosa-1(19),2,4(20),5,7,15,17-heptaene
CAS Registry Number 121012-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2S2
InChI InChI=1S/C16H16N2S2/c1-3-13-9-15(5-1)17-18-16-6-2-4-14(10-16)12-20-8-7-19-11-13/h1-6,9-10H,7-8,11-12H2/b18-17-
InChIKey YVJMOZGVRWNFLK-ZCXUNETKSA-N
Molecular Weight 300.438 g/mol
SMILES c12\N=N/c3cc(CSCCSCc(c2)ccc1)ccc3
SPLASH splash10-0ue9-4917000000-48fed64b1330cc69846d
Source of Spectrum K-122-1933-5
Wiley ID 1302785