| SpectraBase Compound ID | 2MSLNHajZ6L |
|---|---|
| InChI | InChI=1S/C12H22O/c1-5-13-12(3,4)11-8-6-10(2)7-9-11/h8,10H,5-7,9H2,1-4H3 |
| InChIKey | KXBYXNBDPADEQX-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KdgQuWIMpEE |
|---|---|
| Name | 4-(1'-Ethoxy-1'-methylethyl)-1-methylcyclohex-3-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-5-13-12(3,4)11-8-6-10(2)7-9-11/h8,10H,5-7,9H2,1-4H3 |
| InChIKey | KXBYXNBDPADEQX-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | C1(=CCC(CC1)C)C(OCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9462 |