| SpectraBase Compound ID | Kj0QsJB7rgQ |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-7(10-4)5-6-9(3)8(2)11-9/h7-8H,5-6H2,1-4H3 |
| InChIKey | YHXFQYSMNCFNHJ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Rx1bsGiUbZ |
|---|---|
| Name | 2-(3-Methoxybutyl)-2,3-dimethyloxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-7(10-4)5-6-9(3)8(2)11-9/h7-8H,5-6H2,1-4H3 |
| InChIKey | YHXFQYSMNCFNHJ-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C1(OC1C)(CCC(OC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976896 |