| SpectraBase Spectrum ID |
5jfjcGQ5UzO |
| Name |
Isophthalic acid, monoamide, N-(2-chlorophenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.066221012 u |
| Formula |
C16H14ClNO3 |
| InChI |
InChI=1S/C16H14ClNO3/c1-2-21-16(20)12-7-5-6-11(10-12)15(19)18-14-9-4-3-8-13(14)17/h3-10H,2H2,1H3,(H,18,19) |
| InChIKey |
PYVFDIOKDDCZQI-UHFFFAOYSA-N |
| Molecular Weight |
303.745 g/mol |
| SMILES |
C1(=CC(=CC=C1)C(NC1=C(C=CC=C1)Cl)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970288 |
