| SpectraBase Compound ID | 5Ji1aYA6fFI |
|---|---|
| InChI | InChI=1S/C12H11NOS/c1-14-11-7-6-10(12(13)15)8-4-2-3-5-9(8)11/h2-7H,1H3,(H2,13,15) |
| InChIKey | DALJDFTXYDRWNV-UHFFFAOYSA-N |
| Mol Weight | 217.29 g/mol |
| Molecular Formula | C12H11NOS |
| Exact Mass | 217.056135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | INHMZkEyP4n |
|---|---|
| Name | 4-Methoxythio-1-naphthamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.056135151 u |
| Formula | C12H11NOS |
| InChI | InChI=1S/C12H11NOS/c1-14-11-7-6-10(12(13)15)8-4-2-3-5-9(8)11/h2-7H,1H3,(H2,13,15) |
| InChIKey | DALJDFTXYDRWNV-UHFFFAOYSA-N |
| SMILES | NC(C1=CC=C(C=2C=CC=CC12)OC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.977187 |