| SpectraBase Compound ID | 8j92UxpHFAr |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15) |
| InChIKey | ZIKLMTDFHRNNRL-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AGSAJyDISh3 |
|---|---|
| Name | N-Isopropylphthalamic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15) |
| InChIKey | ZIKLMTDFHRNNRL-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | N(C(C=1C(C(=O)O)=CC=CC1)=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.776916 |