| SpectraBase Spectrum ID |
4bgith3PqLq |
| Name |
Terephthalic acid, monoamide, N-(3-methylphenyl)-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.167793602 u |
| Formula |
C20H23NO3 |
| InChI |
InChI=1S/C20H23NO3/c1-3-4-5-13-24-20(23)17-11-9-16(10-12-17)19(22)21-18-8-6-7-15(2)14-18/h6-12,14H,3-5,13H2,1-2H3,(H,21,22) |
| InChIKey |
OTMUZRUTLXVPBB-UHFFFAOYSA-N |
| Molecular Weight |
325.408 g/mol |
| SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC(C)=C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834935 |
