| SpectraBase Compound ID | KJ08PdYAQ81 |
|---|---|
| InChI | InChI=1S/C9H7NO3S/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2 |
| InChIKey | LTIWZGCRKUPJMM-UHFFFAOYSA-N |
| Mol Weight | 209.22 g/mol |
| Molecular Formula | C9H7NO3S |
| Exact Mass | 209.014664 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L3IYmeUHpqT |
|---|---|
| Name | 4H-1-Benzothiopyran-4-one, 6-nitro-2,3-dihydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.014664260 u |
| Formula | C9H7NO3S |
| InChI | InChI=1S/C9H7NO3S/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2 |
| InChIKey | LTIWZGCRKUPJMM-UHFFFAOYSA-N |
| Molecular Weight | 209.219 g/mol |
| SMILES | C1=C2C(=CC(=C1)[N+]([O-])=O)C(CCS2)=O |
| Spectrum/Structure Validation Score (Raman) | 0.97732 |