| SpectraBase Compound ID | ABY9LkDDYl2 |
|---|---|
| InChI | InChI=1S/C9H18O/c1-3-5-6-7-9-8(4-2)10-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1 |
| InChIKey | BRBFKTQUGYOOEX-IUCAKERBSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ii3brevXpr3 |
|---|---|
| Name | Trans-3,4-epoxynonane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-3-5-6-7-9-8(4-2)10-9/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1 |
| InChIKey | BRBFKTQUGYOOEX-IUCAKERBSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | [C@@]1(O[C@]1(CC)[H])(CCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901859 |