| SpectraBase Spectrum ID |
EnBJfIN59nW |
| Name |
Isophthalic acid, monoamide, N-(2-bromophenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.015706312 u |
| Formula |
C16H14BrNO3 |
| InChI |
InChI=1S/C16H14BrNO3/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 |
HNAQDMRCRNJUKF-UHFFFAOYSA-N |
| Molecular Weight |
348.196 g/mol |
| SMILES |
C1=C(C(=CC=C1)Br)NC(C1=CC(C(OCC)=O)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925536 |
