| SpectraBase Spectrum ID |
3opa7qIKs3J |
| Name |
4-Bromo-5-ethoxy-2-nitroaniline, N,N-bis-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.000784522 u |
| Formula |
C12H13BrN2O5 |
| InChI |
InChI=1S/C12H13BrN2O5/c1-4-20-12-6-10(14(7(2)16)8(3)17)11(15(18)19)5-9(12)13/h5-6H,4H2,1-3H3 |
| InChIKey |
IKRGEZRPRUJIHA-UHFFFAOYSA-N |
| Molecular Weight |
345.149 g/mol |
| SMILES |
C1(N(C(=O)C)C(=O)C)=C(C=C(C(=C1)OCC)Br)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913064 |
