| SpectraBase Compound ID | CIdQkvPOv5a |
|---|---|
| InChI | InChI=1S/C9H11NO3/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | XULGIYKLMVSIEC-UHFFFAOYSA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BKe04rxBHQU |
|---|---|
| Name | p-Methoxycarbanilic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c1-12-8-5-3-7(4-6-8)10-9(11)13-2/h3-6H,1-2H3,(H,10,11) |
| InChIKey | XULGIYKLMVSIEC-UHFFFAOYSA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | N(C1=CC=C(C=C1)OC)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936047 |