| SpectraBase Compound ID | 8jhPojBILTU |
|---|---|
| InChI | InChI=1S/C12H7Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H |
| InChIKey | PSRUTZHGMSPRPZ-UHFFFAOYSA-N |
| Mol Weight | 231.09 g/mol |
| Molecular Formula | C12H7Br |
| Exact Mass | 229.973113 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EY14KzXbjKN |
|---|---|
| Name | 5-Bromoacenaphthylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.973113225 u |
| Formula | C12H7Br |
| InChI | InChI=1S/C12H7Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H |
| InChIKey | PSRUTZHGMSPRPZ-UHFFFAOYSA-N |
| Molecular Weight | 231.092 g/mol |
| SMILES | C1(Br)=CC=C2C=CC3=CC=CC1=C23 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900378 |