| SpectraBase Compound ID | KrgC3Eu81ca |
|---|---|
| InChI | InChI=1S/C12H7NO2S/c14-11-7-3-1-2-6-9(16)5-4-8(10(6)7)12(15)13-11/h1-5,16H,(H,13,14,15) |
| InChIKey | LDZKHMPZEWJCSJ-UHFFFAOYSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C12H7NO2S |
| Exact Mass | 229.01975 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9CL6NgV5Kin |
|---|---|
| Name | 4-Mercaptonaphthalimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.019749641 u |
| Formula | C12H7NO2S |
| InChI | InChI=1S/C12H7NO2S/c14-11-7-3-1-2-6-9(16)5-4-8(10(6)7)12(15)13-11/h1-5,16H,(H,13,14,15) |
| InChIKey | LDZKHMPZEWJCSJ-UHFFFAOYSA-N |
| SMILES | SC1=CC=C2C(=O)NC(C=3C2=C1C=CC3)=O |
| Spectrum/Structure Validation Score (Raman) | 0.989785 |