| SpectraBase Compound ID | LU7CEr5vWYV |
|---|---|
| InChI | InChI=1S/C10H15Br/c1-9-7-5-3-2-4-6-8-10(9)11/h6,8H,2-5,7H2,1H3/b8-6-,10-9+ |
| InChIKey | LMZSDYAKMCNUEW-JWJWWGMXSA-N |
| Mol Weight | 215.13 g/mol |
| Molecular Formula | C10H15Br |
| Exact Mass | 214.035713 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LWncNFPl04B |
|---|---|
| Name | 1,3-Cyclononadiene, 2-bromo-1-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.035713483 u |
| Formula | C10H15Br |
| InChI | InChI=1S/C10H15Br/c1-9-7-5-3-2-4-6-8-10(9)11/h6,8H,2-5,7H2,1H3/b8-6-,10-9+ |
| InChIKey | LMZSDYAKMCNUEW-JWJWWGMXSA-N |
| Molecular Weight | 215.134 g/mol |
| SMILES | C\C1=C\(\C=C/CCCCC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902753 |