| SpectraBase Compound ID | qAkRlbrd7J |
|---|---|
| InChI | InChI=1S/C13H24/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-10H2,1-4H3 |
| InChIKey | GYFOADHQXSZNPW-UHFFFAOYSA-N |
| Mol Weight | 180.33 g/mol |
| Molecular Formula | C13H24 |
| Exact Mass | 180.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3rfmlXIrJTD |
|---|---|
| Name | Cyclohexene, 2-butyl-1,3,3-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.187800773 u |
| Formula | C13H24 |
| InChI | InChI=1S/C13H24/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-10H2,1-4H3 |
| InChIKey | GYFOADHQXSZNPW-UHFFFAOYSA-N |
| Molecular Weight | 180.335 g/mol |
| SMILES | C1CCC(C(=C1C)CCCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954878 |