| SpectraBase Spectrum ID |
FA6AGJdyh8Q |
| Name |
1-(4-Tert-butylphenyl)-N-homoveratryl-5-keto-pyrrolidine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.236207514 u |
| Formula |
C25H32N2O4 |
| InChI |
InChI=1S/C25H32N2O4/c1-25(2,3)19-7-9-20(10-8-19)27-16-18(15-23(27)28)24(29)26-13-12-17-6-11-21(30-4)22(14-17)31-5/h6-11,14,18H,12-13,15-16H2,1-5H3,(H,26,29) |
| InChIKey |
OTKLFYWAWSWIGX-UHFFFAOYSA-N |
| Molecular Weight |
424.541 g/mol |
| SMILES |
COC1=CC=C(C=C1OC)CCNC(C1CN(C(C1)=O)C1=CC=C(C(C)(C)C)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964897 |
