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2,2'-Azino-1,1'-Bis(p-methylphenyl)bis(azathiolo[4,5-a]cycloheptatriene)
SpectraBase Compound ID 52eKBzWZ7SZ
InChI InChI=1S/C30H26N4S2/c1-21-13-17-23(18-14-21)33-25-9-5-3-7-11-27(25)35-29(33)31-32-30-34(24-19-15-22(2)16-20-24)26-10-6-4-8-12-28(26)36-30/h5-20H,3-4H2,1-2H3/b31-29-,32-30+
InChIKey ZQKUVRSCSZHBLC-SNQKRLHOSA-N
Mol Weight 506.69 g/mol
Molecular Formula C30H26N4S2
Exact Mass 506.159889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5zIE48TsH0
Name 2,2'-Azino-1,1'-Bis(p-methylphenyl)bis(azathiolo[4,5-a]cycloheptatriene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26N4S2
InChI InChI=1S/C30H26N4S2/c1-21-13-17-23(18-14-21)33-25-9-5-3-7-11-27(25)35-29(33)31-32-30-34(24-19-15-22(2)16-20-24)26-10-6-4-8-12-28(26)36-30/h5-20H,3-4H2,1-2H3/b31-29-,32-30+
InChIKey ZQKUVRSCSZHBLC-SNQKRLHOSA-N
Molecular Weight 506.686 g/mol
SMILES C=12N(\C(SC1C=CCC=C2)=N\N=C/1N(C=2C=CCC=CC2S1)c1ccc(cc1)C)c1ccc(C)cc1
SPLASH splash10-0a4i-0042090000-74bf961320506b0ccf91
Source of Spectrum H1-41-2310-6
Wiley ID 757419