![Benzo[3,4]phenanthro[1,2-b]thiophene, 1-methyl-](/api/spectrum/5qnjflECAMR/structure.png?h=300&w=458 "Benzo[3,4]phenanthro[1,2-b]thiophene, 1-methyl-")
| SpectraBase Compound ID | 4WaODqda3KM |
|---|---|
| InChI | InChI=1S/C21H14S/c1-13-5-4-8-16-17-11-12-22-21(17)18-10-9-14-6-2-3-7-15(14)20(18)19(13)16/h2-12H,1H3 |
| InChIKey | JKICDYOQNBUZGL-UHFFFAOYSA-N |
| Mol Weight | 298.4 g/mol |
| Molecular Formula | C21H14S |
| Exact Mass | 298.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qnjflECAMR |
|---|---|
| Name | Benzo[3,4]phenanthro[1,2-B]thiophene, 1-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.081621625 u |
| Formula | C21H14S |
| InChI | InChI=1S/C21H14S/c1-13-5-4-8-16-17-11-12-22-21(17)18-10-9-14-6-2-3-7-15(14)20(18)19(13)16/h2-12H,1H3 |
| InChIKey | JKICDYOQNBUZGL-UHFFFAOYSA-N |
| SMILES | C1=2C(=C3SC=CC3=C3C2C(=CC=C3)C)C=CC=2C1=CC=CC2 |