| SpectraBase Compound ID | 1QURF3Ycwa3 |
|---|---|
| InChI | InChI=1S/C11H22O/c1-3-5-7-8-9-11-12-10-6-4-2/h4,6H,3,5,7-11H2,1-2H3/b6-4+ |
| InChIKey | DYAYSGRMPFNPMO-GQCTYLIASA-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 | 6UCV6x3Q7G |
|---|---|
| Name | Heptane, 1-(2-butenyloxy)-, (E)- |
| 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/c1-3-5-7-8-9-11-12-10-6-4-2/h4,6H,3,5,7-11H2,1-2H3/b6-4+ |
| InChIKey | DYAYSGRMPFNPMO-GQCTYLIASA-N |
| Molecular Weight | 170.296 g/mol |
| SMILES | C(CCCCCC)OC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968872 |