![9,13:16,20-Dimethenocyclotetradeca[l]phenanthrene, 14,15-dihydro-14-(methylthio)-, stereoisomer](/api/spectrum/4Ed9ecxhw0x/structure.png?h=300&w=458 "9,13:16,20-Dimethenocyclotetradeca[l]phenanthrene, 14,15-dihydro-14-(methylthio)-, stereoisomer")
| SpectraBase Compound ID | JPGO00JzhVT |
|---|---|
| InChI | InChI=1S/C29H22S/c1-30-27-17-19-8-6-10-21(16-19)28-25-14-4-2-12-23(25)24-13-3-5-15-26(24)29(28)22-11-7-9-20(27)18-22/h2-16,18,27H,17H2,1H3 |
| InChIKey | XZASQSDENDQTSX-UHFFFAOYSA-N |
| Mol Weight | 402.56 g/mol |
| Molecular Formula | C29H22S |
| Exact Mass | 402.144222 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Ed9ecxhw0x |
|---|---|
| Name | 9,13:16,20-Dimethenocyclotetradeca[l]phenanthrene, 14,15-dihydro-14-(methylthio)-, stereoisomer |
| Alternate Name(s) | 21-(methylsulfanyl)hexacyclo[21.3.1.1(16,20).0(2,15).0(3,8).0(9,14)]octacosa-1(27),2,4,6,8,10,12,14,16(28),17,19,23,25-tridecaene Hexacyclo[21.3.1.1(16,20).0(2,15).0(3,8).0(9,14)]octacosa-1(27),2,4,6,8,10,12,14,16(28),17,19,23,25-tridecaen-21-yl methyl sulfide |
| CAS Registry Number | 115464-06-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H22S |
| InChI | InChI=1S/C29H22S/c1-30-27-17-19-8-6-10-21(16-19)28-25-14-4-2-12-23(25)24-13-3-5-15-26(24)29(28)22-11-7-9-20(27)18-22/h2-16,18,27H,17H2,1H3 |
| InChIKey | XZASQSDENDQTSX-UHFFFAOYSA-N |
| Molecular Weight | 402.555 g/mol |
| SMILES | c-12c(c3ccccc3c3c2cccc3)-c2cc(CC(c3cc1ccc3)SC)ccc2 |
| SPLASH | splash10-0udi-0009000000-fdb1c4faaefbc543ee95 |
| Source of Spectrum | J-53-4476-12 |
| Wiley ID | 1370742 |