| SpectraBase Compound ID | 96OSLBuQHF7 |
|---|---|
| InChI | InChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20) |
| InChIKey | QXDAEKSDNVPFJG-UHFFFAOYSA-N |
| Mol Weight | 298.39 g/mol |
| Molecular Formula | C18H22N2O2 |
| Exact Mass | 298.168128 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JQGQaRHdFIq |
|---|---|
| Name | Phenacaine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.168127954 u |
| Formula | C18H22N2O2 |
| InChI | InChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20) |
| InChIKey | QXDAEKSDNVPFJG-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1OCC)\N=C\(C)NC1=CC=C(OCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9181 |