| SpectraBase Spectrum ID |
8zGTbWQ2AS4 |
| Name |
Terephthalic acid, monoamide, N-(2-ethylphenyl)-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.199093730 u |
| Formula |
C22H27NO3 |
| InChI |
InChI=1S/C22H27NO3/c1-3-5-6-9-16-26-22(25)19-14-12-18(13-15-19)21(24)23-20-11-8-7-10-17(20)4-2/h7-8,10-15H,3-6,9,16H2,1-2H3,(H,23,24) |
| InChIKey |
LXVJJGWHCPEZGZ-UHFFFAOYSA-N |
| Molecular Weight |
353.462 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCCCCCC)=O)C(=O)NC1=CC=CC=C1CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897076 |
