| SpectraBase Compound ID | 3r8oNXCedUR |
|---|---|
| InChI | InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2 |
| InChIKey | NRZXBDYODHLZBF-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | xKVTS2FGHA |
|---|---|
| Name | 9-Formyl-8-hydroxyjulolidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c15-8-10-7-9-3-1-5-14-6-2-4-11(12(9)14)13(10)16/h7-8,16H,1-6H2 |
| InChIKey | NRZXBDYODHLZBF-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | OC=1C=2CCCN3CCCC(=CC1C=O)C23 |
| Spectrum/Structure Validation Score (Raman) | 0.719487 |