![3-Methylphenanthro[9,10-B]thiophene](/api/spectrum/wbxGmPw99d/structure.png?h=300&w=458 "3-Methylphenanthro[9,10-B]thiophene")
| SpectraBase Compound ID | Ib9KOAKKmzi |
|---|---|
| InChI | InChI=1S/C17H12S/c1-11-10-18-17-15-9-5-3-7-13(15)12-6-2-4-8-14(12)16(11)17/h2-10H,1H3 |
| InChIKey | AKGGNOYSWJSWNW-UHFFFAOYSA-N |
| Mol Weight | 248.34 g/mol |
| Molecular Formula | C17H12S |
| Exact Mass | 248.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wbxGmPw99d |
|---|---|
| Name | 3-Methylphenanthro[9,10-B]thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.065971560 u |
| Formula | C17H12S |
| InChI | InChI=1S/C17H12S/c1-11-10-18-17-15-9-5-3-7-13(15)12-6-2-4-8-14(12)16(11)17/h2-10H,1H3 |
| InChIKey | AKGGNOYSWJSWNW-UHFFFAOYSA-N |
| Molecular Weight | 248.343 g/mol |
| SMILES | C12=CC=CC=C2C2=C(C3=C1C=CC=C3)C(C)=CS2 |