| SpectraBase Compound ID | HxW1aYcyTtc |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-3-8-12-11(13)10-7-5-4-6-9(10)2/h3-8H,1-2H3,(H,12,13)/b8-3- |
| InChIKey | CNPRHPQOVVZEJV-BAQGIRSFSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FE2brT0i5kI |
|---|---|
| Name | (Z)-N-Propenyl-o-toluamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.099714042 u |
| Formula | C11H13NO |
| InChI | InChI=1S/C11H13NO/c1-3-8-12-11(13)10-7-5-4-6-9(10)2/h3-8H,1-2H3,(H,12,13)/b8-3- |
| InChIKey | CNPRHPQOVVZEJV-BAQGIRSFSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C(C=1C(C)=CC=CC1)(=O)N\C=C/C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963425 |