| SpectraBase Compound ID | HbZi2z6dWa3 |
|---|---|
| InChI | InChI=1S/C11H13NO/c1-9(12-2)8-11(13)10-6-4-3-5-7-10/h3-8,12H,1-2H3/b9-8+ |
| InChIKey | AYAHPVFYLSWGGO-CMDGGOBGSA-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 | 1HBBUT6NXPA |
|---|---|
| Name | 1,3-Enaminoketone |
| 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(12-2)8-11(13)10-6-4-3-5-7-10/h3-8,12H,1-2H3/b9-8+ |
| InChIKey | AYAHPVFYLSWGGO-CMDGGOBGSA-N |
| Molecular Weight | 175.231 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)\C=C/(NC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928318 |