| SpectraBase Compound ID | JP448ICmVXV |
|---|---|
| InChI | InChI=1S/C14H21Br/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h5-7,10,12H,8-9H2,1-4H3 |
| InChIKey | JZUHPQHQVYAKKW-UHFFFAOYSA-N |
| Mol Weight | 269.23 g/mol |
| Molecular Formula | C14H21Br |
| Exact Mass | 268.082664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNkon4SatIq |
|---|---|
| Name | 2-(3-Bromo-2-methylpropyl)-1-isopropyl-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.082663676 u |
| Formula | C14H21Br |
| InChI | InChI=1S/C14H21Br/c1-10(2)14-6-5-11(3)7-13(14)8-12(4)9-15/h5-7,10,12H,8-9H2,1-4H3 |
| InChIKey | JZUHPQHQVYAKKW-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1C)C(C)C)CC(CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930928 |