| SpectraBase Spectrum ID |
2XILsDSNHrU |
| Name |
1-[2-(4-Benzoxyanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.236207514 u |
| Formula |
C29H32N2O4 |
| InChI |
InChI=1S/C29H32N2O4/c1-2-34-28(33)29(24-11-7-4-8-12-24)17-19-31(20-18-29)21-27(32)30-25-13-15-26(16-14-25)35-22-23-9-5-3-6-10-23/h3-16H,2,17-22H2,1H3,(H,30,32) |
| InChIKey |
LZOPIDDCULGLKR-UHFFFAOYSA-N |
| Molecular Weight |
472.585 g/mol |
| SMILES |
C1(C(=O)OCC)(CCN(CC1)CC(NC=1C=CC(OCC=2C=CC=CC2)=CC1)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878285 |
![1-[2-(4-Benzoxyanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester](/api/spectrum/2XILsDSNHrU/structure.png?h=300&w=458 "1-[2-(4-Benzoxyanilino)-2-keto-ethyl]-4-phenyl-isonipecotic acid ethyl ester")
