![3,11,19,27-Tetrathiacontaheptacyclo[15.15.7.1(5,9).1(21,25).1(34,38).0(13,39).0(29,33)]dotetraconta-1(32),5(40),6,8,13(39),14,16,21(41),22,24,29(33),30,34(42),35,37-pentadecaene-42-thio - acetyate](/api/spectrum/GX1HICj5kQW/structure.png?h=300&w=458 "3,11,19,27-Tetrathiacontaheptacyclo[15.15.7.1(5,9).1(21,25).1(34,38).0(13,39).0(29,33)]dotetraconta-1(32),5(40),6,8,13(39),14,16,21(41),22,24,29(33),30,34(42),35,37-pentadecaene-42-thio - acetyate")
| SpectraBase Compound ID | K64c6kMyIUc |
|---|---|
| InChI | InChI=1S/C40H36OS5/c1-27(41)46-40-36-15-6-16-37(40)39-33-12-5-14-35(39)26-45-22-31-10-3-9-30(18-31)21-44-25-34-13-4-11-32(38(34)36)23-42-19-28-7-2-8-29(17-28)20-43-24-33/h2-18H,19-26H2,1H3 |
| InChIKey | QLOQIUAXJHFBPP-UHFFFAOYSA-N |
| Mol Weight | 693.0 g/mol |
| Molecular Formula | C40H36OS5 |
| Exact Mass | 692.136972 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GX1HICj5kQW |
|---|---|
| Name | 3,11,19,27-Tetrathiacontaheptacyclo[15.15.7.1(5,9).1(21,25).1(34,38).0(13,39).0(29,33)]dotetraconta-1(32),5(40),6,8,13(39),14,16,21(41),22,24,29(33),30,34(42),35,37-pentadecaene-42-thio - acetyate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H36OS5 |
| InChI | InChI=1S/C40H36OS5/c1-27(41)46-40-36-15-6-16-37(40)39-33-12-5-14-35(39)26-45-22-31-10-3-9-30(18-31)21-44-25-34-13-4-11-32(38(34)36)23-42-19-28-7-2-8-29(17-28)20-43-24-33/h2-18H,19-26H2,1H3 |
| InChIKey | QLOQIUAXJHFBPP-UHFFFAOYSA-N |
| Molecular Weight | 693.027 g/mol |
| SMILES | c1(c2-c3c4CSCc5cccc(c5)CSCc5c(-c1ccc2)c(CSCc1cc(CSCc3ccc4)ccc1)ccc5)SC(=O)C |
| SPLASH | splash10-001i-0000912000-edc1e7115cc64e4fcf61 |
| Source of Spectrum | D1-1993-572-3 |
| Wiley ID | 834508 |