| SpectraBase Spectrum ID |
HCrYaVjtDtN |
| Name |
N-Acetyl-N-(3-phenyl-3-(acetoxyphenylpropyl)-.alpha.-methyl-.beta.-phenyl-ethyl amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.230393859 u |
| Formula |
C28H31NO3 |
| InChI |
InChI=1S/C28H31NO3/c1-21(19-24-11-6-4-7-12-24)29(22(2)30)18-17-28(25-13-8-5-9-14-25)26-15-10-16-27(20-26)32-23(3)31/h4-16,20-21,28H,17-19H2,1-3H3 |
| InChIKey |
TWNMGEFRZPWWLA-UHFFFAOYSA-N |
| Molecular Weight |
429.560 g/mol |
| SMILES |
C(N(CCC(C1=CC(OC(=O)C)=CC=C1)C=1C=CC=CC1)C(CC=1C=CC=CC1)C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839183 |
