| SpectraBase Compound ID | Ilt3zqfmHKR |
|---|---|
| InChI | InChI=1S/C10H13Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,7-10H,4-6H2 |
| InChIKey | XGKKMZCOPLFWQT-UHFFFAOYSA-N |
| Mol Weight | 213.12 g/mol |
| Molecular Formula | C10H13Br |
| Exact Mass | 212.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 333jPTFR9Ce |
|---|---|
| Name | 1-Bromo-1,4,4A,5,8,8A-hexahydronaphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.020063419 u |
| Formula | C10H13Br |
| InChI | InChI=1S/C10H13Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,7-10H,4-6H2 |
| InChIKey | XGKKMZCOPLFWQT-UHFFFAOYSA-N |
| Molecular Weight | 213.118 g/mol |
| SMILES | C1(Br)C2CC=CCC2CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976024 |