| SpectraBase Compound ID | 2rYOSEuW3bV |
|---|---|
| InChI | InChI=1S/C11H22O/c1-9(2)7-10-5-4-6-11(8-10)12-3/h9-11H,4-8H2,1-3H3 |
| InChIKey | VKFKJKCITZMJJX-UHFFFAOYSA-N |
| Mol Weight | 170.3 g/mol |
| Molecular Formula | C11H22O |
| Exact Mass | 170.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4OXpdhZZ7cM |
|---|---|
| Name | 1-Isobutyl-3-methoxycyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.167065327 u |
| Formula | C11H22O |
| InChI | InChI=1S/C11H22O/c1-9(2)7-10-5-4-6-11(8-10)12-3/h9-11H,4-8H2,1-3H3 |
| InChIKey | VKFKJKCITZMJJX-UHFFFAOYSA-N |
| Molecular Weight | 170.296 g/mol |
| SMILES | C1(CC(OC)CCC1)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838374 |