| SpectraBase Compound ID | CDDSBEaXl2w |
|---|---|
| InChI | InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2 |
| InChIKey | OMPXTQYWYRWWPH-UHFFFAOYSA-N |
| Mol Weight | 159.23 g/mol |
| Molecular Formula | C11H13N |
| Exact Mass | 159.104799 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BAV2OytxD2o |
|---|---|
| Name | 4-Phenyl-1,2,3,6-tetrahydropyridine free base |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.104799423 u |
| Formula | C11H13N |
| InChI | InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2 |
| InChIKey | OMPXTQYWYRWWPH-UHFFFAOYSA-N |
| Molecular Weight | 159.232 g/mol |
| SMILES | N1CC=C(CC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.993088 |