| SpectraBase Compound ID | Kn0KGqgS7dh |
|---|---|
| InChI | InChI=1S/C7H14O/c1-3-6(2)4-7-5-8-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | DCURUSMYSILIGA-UHFFFAOYSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4A91Oe3Kqup |
|---|---|
| Name | 1,2-Epoxy-4-methylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-3-6(2)4-7-5-8-7/h6-7H,3-5H2,1-2H3 |
| InChIKey | DCURUSMYSILIGA-UHFFFAOYSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C(C)C(C)CC1OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946951 |