| SpectraBase Spectrum ID |
1CprdRZ0KUM |
| Name |
Terephthalic acid, monoamide, N-(3-methylphenyl)-, hexyl 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/c1-3-4-5-6-14-25-21(24)18-12-10-17(11-13-18)20(23)22-19-9-7-8-16(2)15-19/h7-13,15H,3-6,14H2,1-2H3,(H,22,23) |
| InChIKey |
PHQGOJAOBRZMQW-UHFFFAOYSA-N |
| Molecular Weight |
339.435 g/mol |
| SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC(=C1)C)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854295 |
