| SpectraBase Compound ID | H7UT3AgHihA |
|---|---|
| InChI | InChI=1S/C7H6BrNO4/c1-13-7-2-4(8)5(9(11)12)3-6(7)10/h2-3,10H,1H3 |
| InChIKey | WZVFUTFJQNFKST-UHFFFAOYSA-N |
| Mol Weight | 248.03 g/mol |
| Molecular Formula | C7H6BrNO4 |
| Exact Mass | 246.948021 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 | F345rSUDeal |
|---|---|
| Name | 4-Bromo-5-nitro guaiacol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.948020673 u |
| Formula | C7H6BrNO4 |
| InChI | InChI=1S/C7H6BrNO4/c1-13-7-2-4(8)5(9(11)12)3-6(7)10/h2-3,10H,1H3 |
| InChIKey | WZVFUTFJQNFKST-UHFFFAOYSA-N |
| Molecular Weight | 248.032 g/mol |
| SMILES | C1(Br)=C(N(=O)=O)C=C(C(OC)=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849965 |