| SpectraBase Compound ID | 5ZuMNCRypVd |
|---|---|
| InChI | InChI=1S/C12H9BrN2O3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H,14H2 |
| InChIKey | SCGVXZHECWINFS-UHFFFAOYSA-N |
| Mol Weight | 309.12 g/mol |
| Molecular Formula | C12H9BrN2O3 |
| Exact Mass | 307.979655 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AwkaZkwioa7 |
|---|---|
| Name | Benzenamine, 4-(4-bromophenoxy)-3-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.979655155 u |
| Formula | C12H9BrN2O3 |
| InChI | InChI=1S/C12H9BrN2O3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H,14H2 |
| InChIKey | SCGVXZHECWINFS-UHFFFAOYSA-N |
| SMILES | NC1=CC=C(C(=C1)[N+]([O-])=O)OC1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Raman) | 0.707988 |