| SpectraBase Compound ID | 4DGEngZC4gL |
|---|---|
| InChI | InChI=1S/C13H9Br/c1-8-10-6-2-4-9-5-3-7-11(12(9)10)13(8)14/h2-7H,1H3 |
| InChIKey | JNTQXUXKDKJETD-UHFFFAOYSA-N |
| Mol Weight | 245.12 g/mol |
| Molecular Formula | C13H9Br |
| Exact Mass | 243.988763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 88OVAfH6lUd |
|---|---|
| Name | 1-Bromo-2-methylacenaphthylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.988763290 u |
| Formula | C13H9Br |
| InChI | InChI=1S/C13H9Br/c1-8-10-6-2-4-9-5-3-7-11(12(9)10)13(8)14/h2-7H,1H3 |
| InChIKey | JNTQXUXKDKJETD-UHFFFAOYSA-N |
| Molecular Weight | 245.119 g/mol |
| SMILES | C1=CC=2C(=C(C)C=3C2C(=C1)C=CC3)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832533 |