| SpectraBase Compound ID | 2rIDFz4bPSZ |
|---|---|
| InChI | InChI=1S/C10H9NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12) |
| InChIKey | YSZCDDOREQFOHK-UHFFFAOYSA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KapeqbGsRUB |
|---|---|
| Name | Carbanilic acid, 2-propynyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h1,3-7H,8H2,(H,11,12) |
| InChIKey | YSZCDDOREQFOHK-UHFFFAOYSA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | N(C1=CC=CC=C1)C(OCC#C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.755125 |