| SpectraBase Spectrum ID |
9pVFTSZBiyT |
| Name |
Terephthalic acid, monoamide, N-(2-methoxyphenyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.131408092 u |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-3-12-23-18(21)14-10-8-13(9-11-14)17(20)19-15-6-4-5-7-16(15)22-2/h4-11H,3,12H2,1-2H3,(H,19,20) |
| InChIKey |
QLODGJHEMOFYLK-UHFFFAOYSA-N |
| SMILES |
C(COC(=O)C1=CC=C(C=C1)C(=O)NC1=C(OC)C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885838 |
