![13H,15H-1,19-(Methanothiomethano[1,3]benzenomethanothiomethano)-8,12:20,24-dimetheno-5H,7H-dibenzo[k,r][1,9]dithiacycloeicosin, 25-bromo-](/api/spectrum/G3HwLAmM4nv/structure.png?h=300&w=458 "13H,15H-1,19-(Methanothiomethano[1,3]benzenomethanothiomethano)-8,12:20,24-dimetheno-5H,7H-dibenzo[k,r][1,9]dithiacycloeicosin, 25-bromo-")
| SpectraBase Compound ID | IR1fatq7l8n |
|---|---|
| InChI | InChI=1S/C38H33BrS4/c39-38-34-14-5-15-35(38)25-43-23-33-13-4-11-31-21-41-19-27-7-1-6-26(16-27)18-40-20-30-10-3-12-32(22-42-24-34)36(30)28-8-2-9-29(17-28)37(31)33/h1-17,24,38H,18-23,25H2/b34-24+ |
| InChIKey | DJVVMJQKDPIRDX-JGRMKTMXSA-N |
| Mol Weight | 697.8 g/mol |
| Molecular Formula | C38H33BrS4 |
| Exact Mass | 696.064849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G3HwLAmM4nv |
|---|---|
| Name | 13H,15H-1,19-(Methanothiomethano[1,3]benzenomethanothiomethano)-8,12:20,24-dimetheno-5H,7H-dibenzo[k,r][1,9]dithiacycloeicosin, 25-bromo- |
| CAS Registry Number | 124537-14-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H33BrS4 |
| InChI | InChI=1S/C38H33BrS4/c39-38-34-14-5-15-35(38)25-43-23-33-13-4-11-31-21-41-19-27-7-1-6-26(16-27)18-40-20-30-10-3-12-32(22-42-24-34)36(30)28-8-2-9-29(17-28)37(31)33/h1-17,24,38H,18-23,25H2/b34-24+ |
| InChIKey | DJVVMJQKDPIRDX-JGRMKTMXSA-N |
| Molecular Weight | 697.826 g/mol |
| SMILES | c12-c3c4CSCc5cc(CSCc6c(-c(c2)ccc1)c(CS\C=C/1C=CC=C(CSCc3ccc4)C1Br)ccc6)ccc5 |
| SPLASH | splash10-03di-0009405000-e2c7bca599ca50fbd82a |
| Source of Spectrum | J-55-889-34 |
| Synonyms | 25-Bromo-13H,15H-1,19-(methanothiomethano[1,3]benzenomethanothiomethano)-8,12:20,24-dimetheno-5H7H-dibenzo[k,r][1,9]dithiacycloeicosin 42-bromo-3,11,19,27-tetrathiaheptacyclo[15.15.7.1(5,9).1(21,25).1(34,38).0(13,39).0(29,33)]dotetraconta-1(33),4,6,8,13(39),14,16,21(41),22,24,29,31,34(40),35,37-pentadecaene |
| Wiley ID | 1414937 |