| SpectraBase Compound ID | 1HkQjcRp7po |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-5-2-3-7(10)6(4-5)8(9)11/h2-4,10H,1H3,(H2,9,11) |
| InChIKey | YNAXKCRTFJQYDT-UHFFFAOYSA-N |
| Mol Weight | 151.16 g/mol |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HslQHMQyrAQ |
|---|---|
| Name | 2,5-Cresotamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.063328532 u |
| Formula | C8H9NO2 |
| InChI | InChI=1S/C8H9NO2/c1-5-2-3-7(10)6(4-5)8(9)11/h2-4,10H,1H3,(H2,9,11) |
| InChIKey | YNAXKCRTFJQYDT-UHFFFAOYSA-N |
| Molecular Weight | 151.165 g/mol |
| SMILES | OC1=C(C(N)=O)C=C(C=C1)C |
| Spectrum/Structure Validation Score (Raman) | 0.89307 |