| SpectraBase Compound ID | 3YOWt7unsFt |
|---|---|
| InChI | InChI=1S/C14H13NO3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3 |
| InChIKey | PBSZHNXXFIYDBU-UHFFFAOYSA-N |
| Mol Weight | 243.26 g/mol |
| Molecular Formula | C14H13NO3 |
| Exact Mass | 243.089543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EtL8NAIk2Y |
|---|---|
| Name | Benzyl 3-nitro-o-tolyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.089543280 u |
| Formula | C14H13NO3 |
| InChI | InChI=1S/C14H13NO3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3 |
| InChIKey | PBSZHNXXFIYDBU-UHFFFAOYSA-N |
| Molecular Weight | 243.262 g/mol |
| SMILES | N(=O)(=O)C=1C=CC=C(C1C)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.92691 |