![Cycloocta[1,2-b:4,3-b':5,6-b'':8,7-b''']tetrathiophene, 2,5,8,11-tetrabromo-](/api/spectrum/FDNgGGZqRI5/structure.png?h=300&w=458 "Cycloocta[1,2-b:4,3-b':5,6-b'':8,7-b''']tetrathiophene, 2,5,8,11-tetrabromo-")
| SpectraBase Compound ID | FjO0KLUdKMd |
|---|---|
| InChI | InChI=1S/C16H4Br4S4/c17-9-1-5-6-2-10(18)22-14(6)16-8(4-12(20)24-16)7-3-11(19)23-15(7)13(5)21-9/h1-4H/b6-5-,8-7-,15-13-,16-14- |
| InChIKey | LHSFPKPWSSJZEA-WTYRSRARSA-N |
| Mol Weight | 644.1 g/mol |
| Molecular Formula | C16H4Br4S4 |
| Exact Mass | 639.592937 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FDNgGGZqRI5 |
|---|---|
| Name | Cycloocta[1,2-b:4,3-b':5,6-b'':8,7-b''']tetrathiophene, 2,5,8,11-tetrabromo- |
| CAS Registry Number | 99408-90-9 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H4Br4S4 |
| InChI | InChI=1S/C16H4Br4S4/c17-9-1-5-6-2-10(18)22-14(6)16-8(4-12(20)24-16)7-3-11(19)23-15(7)13(5)21-9/h1-4H/b6-5-,8-7-,15-13-,16-14- |
| InChIKey | LHSFPKPWSSJZEA-WTYRSRARSA-N |
| Molecular Weight | 644.064 g/mol |
| SMILES | c12-c3c(-c4cc(Br)sc4-c4c(-c2cc(s1)Br)cc(Br)s4)cc(s3)Br |
| SPLASH | splash10-0005-0000009000-1d4d3e68492880ef72fc |
| Source of Spectrum | K-118-3720-3 |
| Synonyms | 2,5,8,11-tetrabromotrithieno[2',3':5,6:3',2':3,4:3',2':7,8]cycloocta[1,2-b]thiophene 2,7,12,17-Tetrabrom-(all-.alpha.s)cyclotetrathiophen (2,7,12,17-tetrabromcycloocta[1,2-b:4,3-b':5,6 -b'':8,7-b''']tetrathiophen Cycloocta[1,2-b:4,3-b':5,6-b'':8,7-b''']tetrathiophene, 2,5,8,11-tetrabromo- |
| Wiley ID | 1412569 |