| SpectraBase Spectrum ID |
IwmNd8QJJ7H |
| Name |
Methyl 2-(2-(butylamino)-2-oxo-1-(N-(p-tolyl)benzamido)ethyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.220557450 u |
| Formula |
C28H30N2O4 |
| InChI |
InChI=1S/C28H30N2O4/c1-4-5-19-29-26(31)25(23-13-9-10-14-24(23)28(33)34-3)30(22-17-15-20(2)16-18-22)27(32)21-11-7-6-8-12-21/h6-18,25H,4-5,19H2,1-3H3,(H,29,31) |
| InChIKey |
IFPNSYXJVPFBDH-UHFFFAOYSA-N |
| Molecular Weight |
458.558 g/mol |
| SMILES |
C(N(C1=CC=C(C=C1)C)C(=O)C1=CC=CC=C1)(C(NCCCC)=O)C1=CC=CC=C1C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867558 |
