| SpectraBase Compound ID | IQNFE1gCuZ7 |
|---|---|
| InChI | InChI=1S/C12H21Br/c1-11-7-3-4-8-12(11,2)9-5-6-10-13/h1,3-10H2,2H3 |
| InChIKey | CCOWUWRVFAFWLN-UHFFFAOYSA-N |
| Mol Weight | 245.2 g/mol |
| Molecular Formula | C12H21Br |
| Exact Mass | 244.082664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5yDwVHhhJqW |
|---|---|
| Name | 1-(4-Bromanylbutyl)-1-methyl-2-methylidene-cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.082663676 u |
| Formula | C12H21Br |
| InChI | InChI=1S/C12H21Br/c1-11-7-3-4-8-12(11,2)9-5-6-10-13/h1,3-10H2,2H3 |
| InChIKey | CCOWUWRVFAFWLN-UHFFFAOYSA-N |
| Molecular Weight | 245.204 g/mol |
| SMILES | C1(C(CCCCBr)(C)CCCC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814186 |