| SpectraBase Spectrum ID |
AHNhCK5MTl3 |
| Name |
Glutaric 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 |
313.031356376 u |
| Formula |
C13H16BrNO3 |
| InChI |
InChI=1S/C13H16BrNO3/c1-2-18-13(17)9-5-8-12(16)15-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,15,16) |
| InChIKey |
SYGUIOVDNZFGAB-UHFFFAOYSA-N |
| Molecular Weight |
314.179 g/mol |
| SMILES |
C1=CC=C(NC(CCCC(OCC)=O)=O)C(=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843952 |
