| SpectraBase Compound ID | 7MDTZpTFUJ8 |
|---|---|
| InChI | InChI=1S/C13H12N2O2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16/h1-8,16H,14H2,(H,15,17) |
| InChIKey | NIVASJPUHRPIBF-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C13H12N2O2 |
| Exact Mass | 228.089878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CIe9PKldp98 |
|---|---|
| Name | 3'-Aminosalicylanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.089877632 u |
| Formula | C13H12N2O2 |
| InChI | InChI=1S/C13H12N2O2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16/h1-8,16H,14H2,(H,15,17) |
| InChIKey | NIVASJPUHRPIBF-UHFFFAOYSA-N |
| Molecular Weight | 228.251 g/mol |
| SMILES | OC1=C(C(NC=2C=C(C=CC2)N)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.93296 |