![2-Methylbenzo[B]naphtho[2,1-D]thiophene](/api/spectrum/6joBHwR0JwD/structure.png?h=300&w=458 "2-Methylbenzo[B]naphtho[2,1-D]thiophene")
| SpectraBase Compound ID | ALkoe60xpcg |
|---|---|
| InChI | InChI=1S/C17H12S/c1-11-6-7-12-8-9-14-13-4-2-3-5-16(13)18-17(14)15(12)10-11/h2-10H,1H3 |
| InChIKey | OROXKUAWRWGWNX-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 | 6joBHwR0JwD |
|---|---|
| Name | 2-Methylbenzo[B]naphtho[2,1-D]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/c1-11-6-7-12-8-9-14-13-4-2-3-5-16(13)18-17(14)15(12)10-11/h2-10H,1H3 |
| InChIKey | OROXKUAWRWGWNX-UHFFFAOYSA-N |
| Molecular Weight | 248.343 g/mol |
| SMILES | C1=CC=CC2=C1C=1C(S2)=C2C=C(C)C=CC2=CC1 |