| SpectraBase Compound ID | 5wqxjBY11kZ |
|---|---|
| InChI | InChI=1S/C18H21NO2/c1-15(20)19(2)13-14-21-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3 |
| InChIKey | RRLHRDNTUZHNAO-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 | CdGa1UGNj68 |
|---|---|
| Name | Nordiphenhydramine, N-acetyl |
| 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/c1-15(20)19(2)13-14-21-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13-14H2,1-2H3 |
| InChIKey | RRLHRDNTUZHNAO-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)C(OCCN(C)C(C)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867682 |