| SpectraBase Compound ID | F5szRSWsAT7 |
|---|---|
| InChI | InChI=1S/C19H31NO2/c1-19(2,3)20-13-16(21-4)14-22-18-12-8-7-11-17(18)15-9-5-6-10-15/h7-8,11-12,15-16,20H,5-6,9-10,13-14H2,1-4H3 |
| InChIKey | PTZZZNSBEFJCSD-UHFFFAOYSA-N |
| Mol Weight | 305.46 g/mol |
| Molecular Formula | C19H31NO2 |
| Exact Mass | 305.235479 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JwX6WKgg3LT |
|---|---|
| Name | Penbutolol me (ome) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.235479240 u |
| Formula | C19H31NO2 |
| InChI | InChI=1S/C19H31NO2/c1-19(2,3)20-13-16(21-4)14-22-18-12-8-7-11-17(18)15-9-5-6-10-15/h7-8,11-12,15-16,20H,5-6,9-10,13-14H2,1-4H3 |
| InChIKey | PTZZZNSBEFJCSD-UHFFFAOYSA-N |
| Molecular Weight | 305.462 g/mol |
| SMILES | C=1(C(OCC(CNC(C)(C)C)OC)=CC=CC1)C1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95401 |