| SpectraBase Compound ID | 2H6N91bcmLN |
|---|---|
| InChI | InChI=1S/C23H30N2O/c1-24(2)21-11-7-8-12-22(21)25(3)23(26)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21-22H,7-8,11-12,17H2,1-3H3/t21-,22-/m1/s1 |
| InChIKey | JMDIMUCMZWADSC-FGZHOGPDSA-N |
| Mol Weight | 350.51 g/mol |
| Molecular Formula | C23H30N2O |
| Exact Mass | 350.235814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4SfSs0aSzk6 |
|---|---|
| Name | 4-Phenyl U-51754 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.235813593 u |
| Formula | C23H30N2O |
| InChI | InChI=1S/C23H30N2O/c1-24(2)21-11-7-8-12-22(21)25(3)23(26)17-18-13-15-20(16-14-18)19-9-5-4-6-10-19/h4-6,9-10,13-16,21-22H,7-8,11-12,17H2,1-3H3/t21-,22-/m1/s1 |
| InChIKey | JMDIMUCMZWADSC-FGZHOGPDSA-N |
| Molecular Weight | 350.506 g/mol |
| SMILES | C1=C(C=CC=C1)C=1C=CC(=CC1)CC(N([C@]1([C@@](CCCC1)(N(C)C)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890794 |