| SpectraBase Compound ID | HSyKoHyW2bw |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-3-7-12-11(13)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3,(H,12,13) |
| InChIKey | KULOPHFNMKJFRO-UHFFFAOYSA-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 | HxIKiEEJH92 |
|---|---|
| Name | Benzamide, 3-methyl-N-allyl- |
| 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/c1-3-7-12-11(13)10-6-4-5-9(2)8-10/h3-6,8H,1,7H2,2H3,(H,12,13) |
| InChIKey | KULOPHFNMKJFRO-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C(C1=CC(=CC=C1)C)(=O)NCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904636 |