| SpectraBase Compound ID | GCe1jhQ08E8 |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h2-5,7-8H,6,9H2,1H3/b3-2+ |
| InChIKey | QKOOTSIGDNEPCO-NSCUHMNNSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fs9dU0UDS0O |
|---|---|
| Name | 5-Phthalimidopent-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13(14)16/h2-5,7-8H,6,9H2,1H3/b3-2+ |
| InChIKey | QKOOTSIGDNEPCO-NSCUHMNNSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C\C=C\CCN1C(=O)C2=CC=CC=C2C1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965945 |