| SpectraBase Compound ID | HjxmOqQEKox |
|---|---|
| InChI | InChI=1S/C12H17NO/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2 |
| InChIKey | DTNACGVJQYLRDI-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KF1d1MLFHfu |
|---|---|
| Name | 4-(Phenylmethyl)-3-piperidinol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c14-12-9-13-7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2 |
| InChIKey | DTNACGVJQYLRDI-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1NCCC(C1O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966614 |