| SpectraBase Compound ID | 6RtOSBlkrUn |
|---|---|
| InChI | InChI=1S/C8H7BrINO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12) |
| InChIKey | AQKAGSPITSZEQT-UHFFFAOYSA-N |
| Mol Weight | 339.96 g/mol |
| Molecular Formula | C8H7BrINO |
| Exact Mass | 338.875572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CKYtzkvzCKR |
|---|---|
| Name | 2-Bromo-4-iodoaniline, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.875571848 u |
| Formula | C8H7BrINO |
| InChI | InChI=1S/C8H7BrINO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12) |
| InChIKey | AQKAGSPITSZEQT-UHFFFAOYSA-N |
| Molecular Weight | 339.958 g/mol |
| SMILES | C1(I)=CC(=C(C=C1)NC(=O)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953155 |