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12,13,25,26-Tetraza-2,15-dithia[3.3]phenanthrolinophane
SpectraBase Compound ID 9xoD0qoz2Gu
InChI InChI=1S/C28H20N4S2/c1-2-18-6-10-22-14-34-16-24-12-8-20-4-3-19-7-11-23(31-27(19)28(20)32-24)15-33-13-21-9-5-17(1)25(29-21)26(18)30-22/h1-12H,13-16H2
InChIKey BPMIHNRUMNVRLF-UHFFFAOYSA-N
Mol Weight 476.62 g/mol
Molecular Formula C28H20N4S2
Exact Mass 476.112939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZvTtfLid9O
Name 12,13,25,26-Tetraza-2,15-dithia[3.3]phenanthrolinophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N4S2
InChI InChI=1S/C28H20N4S2/c1-2-18-6-10-22-14-34-16-24-12-8-20-4-3-19-7-11-23(31-27(19)28(20)32-24)15-33-13-21-9-5-17(1)25(29-21)26(18)30-22/h1-12H,13-16H2
InChIKey BPMIHNRUMNVRLF-UHFFFAOYSA-N
Molecular Weight 476.616 g/mol
SMILES c12c3nc4CSCc5nc6c7nc(CSCc(n2)ccc1ccc3cc4)ccc7ccc6cc5
SPLASH splash10-0a4l-0090500000-161d09ddff23f739b735
Source of Spectrum F-52-4677-7
Synonyms 3,16-dithia-27,30,31,34-tetraazaheptacyclo[16.8.4.4(5,14).0(8,33).0(11,32).0(21,29).0(24,28)]tetratriaconta-1(27),5,7,9,11,13,18(30),19,21,23,25,28,31,33-tetradecaene
Wiley ID 796173