| SpectraBase Compound ID | BRGGt8jVkSI |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13) |
| InChIKey | KAJZGRFYZKWYDX-UHFFFAOYSA-N |
| Mol Weight | 175.23 g/mol |
| Molecular Formula | C11H13NO |
| Exact Mass | 175.099714 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HK6f0b1ONQE |
|---|---|
| Name | 3-Methyl-4-phenyl-3-butenamide |
| 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/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13) |
| InChIKey | KAJZGRFYZKWYDX-UHFFFAOYSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C=1C(=CC=CC1)C=C(CC(N)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.961886 |