![9,13:16,20-Dimethenocyclotetradeca[l]phenanthrene, 21,22-dimethyl-, stereoisomer](/api/spectrum/JkLjTy2Oqh2/structure.png?h=300&w=458 "9,13:16,20-Dimethenocyclotetradeca[l]phenanthrene, 21,22-dimethyl-, stereoisomer")
| SpectraBase Compound ID | KUZ6eP7YehO |
|---|---|
| InChI | InChI=1S/C30H22/c1-19-21-9-7-15-23(19)29-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30(29)24-16-8-10-22(18-17-21)20(24)2/h3-18H,1-2H3/b18-17- |
| InChIKey | CLLGDIYAJIYEFS-ZCXUNETKSA-N |
| Mol Weight | 382.51 g/mol |
| Molecular Formula | C30H22 |
| Exact Mass | 382.172151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JkLjTy2Oqh2 |
|---|---|
| Name | 9,13:16,20-Dimethenocyclotetradeca[l]phenanthrene, 21,22-dimethyl-, stereoisomer |
| CAS Registry Number | 122741-72-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H22 |
| InChI | InChI=1S/C30H22/c1-19-21-9-7-15-23(19)29-27-13-5-3-11-25(27)26-12-4-6-14-28(26)30(29)24-16-8-10-22(18-17-21)20(24)2/h3-18H,1-2H3/b18-17- |
| InChIKey | CLLGDIYAJIYEFS-ZCXUNETKSA-N |
| Molecular Weight | 382.506 g/mol |
| SMILES | c1-2c(-c3c(c(\C=C/c4c(c2ccc4)C)ccc3)C)c2ccccc2c2c1cccc2 |
| SPLASH | splash10-0uxr-0109000000-f2d738d6f5c3684b002a |
| Source of Spectrum | J-54-4590-22 |
| Synonyms | 27,28-dimethylhexacyclo[21.3.1.1(16,20).0(2,15).0(3,8).0(9,14)]octacosa-1(27),2(15),3,5,7,9,11,13,16(28),17,19,21,23,25-tetradecaene syn-8,16-dimethylpheneanthro[9,10:1',2'][2.2]metacyclophane-1,9-diene |
| Wiley ID | 1360933 |