| SpectraBase Spectrum ID |
D4nHiQp27HB |
| Name |
2-(N-Acetylacetamido)-4-bromo-6-chlorophenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.955998534 u |
| Formula |
C12H11BrClNO4 |
| InChI |
InChI=1S/C12H11BrClNO4/c1-6(16)15(7(2)17)11-5-9(13)4-10(14)12(11)19-8(3)18/h4-5H,1-3H3 |
| InChIKey |
CREUGRNRFANIDM-UHFFFAOYSA-N |
| Molecular Weight |
348.580 g/mol |
| SMILES |
C1(Br)=CC(=C(C(=C1)N(C(C)=O)C(C)=O)OC(C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945577 |
