| SpectraBase Compound ID | BtdVavQtDBF |
|---|---|
| InChI | InChI=1S/C18H21NO2/c1-19(14-16-7-4-3-5-8-16)12-11-15-9-6-10-17(13-15)18(20)21-2/h3-10,13H,11-12,14H2,1-2H3 |
| InChIKey | IGJQEMHBYKNIQR-UHFFFAOYSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C18H21NO2 |
| Exact Mass | 283.157229 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6J1yTGpi3pn |
|---|---|
| Name | prl-8-53 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.157228918 u |
| Formula | C18H21NO2 |
| InChI | InChI=1S/C18H21NO2/c1-19(14-16-7-4-3-5-8-16)12-11-15-9-6-10-17(13-15)18(20)21-2/h3-10,13H,11-12,14H2,1-2H3 |
| InChIKey | IGJQEMHBYKNIQR-UHFFFAOYSA-N |
| SMILES | C=1C(=CC=CC1)CN(CCC=1C=CC=C(C1)C(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856661 |