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Tetrabenzo[e,i,o,s][1,4,7,11,14,18]dithiatetraazacycloeicosine, 11,12,13,14,26,27-hexahydro-
SpectraBase Compound ID EHbcqBZ2Spm
InChI InChI=1S/C30H28N4S2/c1-3-11-25-23(9-1)21-33-27-13-5-7-15-29(27)35-19-20-36-30-16-8-6-14-28(30)34-22-24-10-2-4-12-26(24)32-18-17-31-25/h1-16,21-22,33-34H,17-20H2/b23-21+,24-22+,31-25+,32-26+
InChIKey QFFUYTLQXFHZHH-KDDOIJDFSA-N
Mol Weight 508.7 g/mol
Molecular Formula C30H28N4S2
Exact Mass 508.175539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fhVgqf5Ep2
Name Tetrabenzo[e,i,o,s][1,4,7,11,14,18]dithiatetraazacycloeicosine, 11,12,13,14,26,27-hexahydro-
Alternate Name(s) 11,12,13,14,26,27-Hexahydrotetrabenzo[e,i,o,S][1,4,7,11,14,18]dithiatetraazacycloicosine 5,12,13,20,26,27-hexahydrotetrabenzo[e,i,o,s][1,4,7,11,14,18]dithiatetraazacycloicosine
CAS Registry Number 29423-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28N4S2
InChI InChI=1S/C30H28N4S2/c1-3-11-25-23(9-1)21-33-27-13-5-7-15-29(27)35-19-20-36-30-16-8-6-14-28(30)34-22-24-10-2-4-12-26(24)32-18-17-31-25/h1-16,21-22,33-34H,17-20H2/b23-21+,24-22+,31-25+,32-26+
InChIKey QFFUYTLQXFHZHH-KDDOIJDFSA-N
Molecular Weight 508.702 g/mol
SMILES N1\C=C\2C=CC=C\C2=N/CC\N=C\2C=CC=C\C2=C/Nc2ccccc2SCCSc2ccccc12
SPLASH splash10-014u-0981020000-796f621f1ea62bd06ed7
Source of Spectrum W5-36814-28722-28722
Wiley ID 1400208