| SpectraBase Compound ID | 7s6M9wZft3T |
|---|---|
| InChI | InChI=1S/C13H26/c1-5-6-7-8-9-12-10-13(3,4)11(12)2/h11-12H,5-10H2,1-4H3 |
| InChIKey | LMBSNPMTXNRLJT-UHFFFAOYSA-N |
| Mol Weight | 182.35 g/mol |
| Molecular Formula | C13H26 |
| Exact Mass | 182.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AZl0KGm1vqa |
|---|---|
| Name | Cyclobutane, 3-hexyl-1,1,2-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.203450837 u |
| Formula | C13H26 |
| InChI | InChI=1S/C13H26/c1-5-6-7-8-9-12-10-13(3,4)11(12)2/h11-12H,5-10H2,1-4H3 |
| InChIKey | LMBSNPMTXNRLJT-UHFFFAOYSA-N |
| Molecular Weight | 182.351 g/mol |
| SMILES | C(CC1C(C)C(C1)(C)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935359 |