| SpectraBase Compound ID | CvHyoL80mUQ |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c1-19-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)18/h2-9,15H,10H2,1H3 |
| InChIKey | KLPVHDQLXCJUOA-UHFFFAOYSA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ANOdP5I6u0f |
|---|---|
| Name | N-(4-Methoxybenzyl)-2-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c1-19-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)18/h2-9,15H,10H2,1H3 |
| InChIKey | KLPVHDQLXCJUOA-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=C(C=CC=C1)NCC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942641 |