| SpectraBase Compound ID | 5wjrdkRW9nK |
|---|---|
| InChI | InChI=1S/C8H7Br2NO2/c9-7(8(10)11(12)13)6-4-2-1-3-5-6/h1-5,7-8H |
| InChIKey | DNKILUKMZPEIEV-UHFFFAOYSA-N |
| Mol Weight | 308.96 g/mol |
| Molecular Formula | C8H7Br2NO2 |
| Exact Mass | 306.884354 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 | 27RxvpLstml |
|---|---|
| Name | 1-Phenyl-1,2-dibrom-2-nitroethan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.884354467 u |
| Formula | C8H7Br2NO2 |
| InChI | InChI=1S/C8H7Br2NO2/c9-7(8(10)11(12)13)6-4-2-1-3-5-6/h1-5,7-8H |
| InChIKey | DNKILUKMZPEIEV-UHFFFAOYSA-N |
| Molecular Weight | 308.957 g/mol |
| SMILES | C(N(=O)=O)(C(C=1C=CC=CC1)Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952228 |