| SpectraBase Spectrum ID |
rDZzLYBsEP |
| Name |
Terephthalic acid, monoamide, N-(2-ethylphenyl)-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.183443666 u |
| Formula |
C21H25NO3 |
| InChI |
InChI=1S/C21H25NO3/c1-3-5-8-15-25-21(24)18-13-11-17(12-14-18)20(23)22-19-10-7-6-9-16(19)4-2/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,22,23) |
| InChIKey |
MLRJEXDVNKBARB-UHFFFAOYSA-N |
| Molecular Weight |
339.435 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(=O)NC1=CC=CC=C1CC)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862264 |
