![1-[(Z)-2-bromanylethenyl]-3-nitro-benzene](/api/spectrum/It4sKQEk2Pi/structure.png?h=300&w=458 "1-[(Z)-2-bromanylethenyl]-3-nitro-benzene")
| SpectraBase Compound ID | PwspogK8Gw |
|---|---|
| InChI | InChI=1S/C8H6BrNO2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-6H/b5-4- |
| InChIKey | YOTXPVFRAUVUQD-PLNGDYQASA-N |
| Mol Weight | 228.04 g/mol |
| Molecular Formula | C8H6BrNO2 |
| Exact Mass | 226.958191 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | It4sKQEk2Pi |
|---|---|
| Name | 1-[(Z)-2-Bromanylethenyl]-3-nitro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.958191435 u |
| Formula | C8H6BrNO2 |
| InChI | InChI=1S/C8H6BrNO2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-6H/b5-4- |
| InChIKey | YOTXPVFRAUVUQD-PLNGDYQASA-N |
| Molecular Weight | 228.045 g/mol |
| SMILES | C=1(\C=C/Br)C=C(C=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946159 |