| SpectraBase Compound ID | ACkwOcPWK1Z |
|---|---|
| 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 |
| Mol Weight | 348.2 g/mol |
| Molecular Formula | C16H14BrNO3 |
| Exact Mass | 347.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1K4ujnjbMkI |
|---|---|
| Name | Isophthalic acid, monoamide, N-(2-bromophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |