| SpectraBase Compound ID | 4tG5mxrkATK |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-9(2)4-6(12)8-10(3,13-8)7(9)5-11/h7-8,11H,4-5H2,1-3H3 |
| InChIKey | DFZYUNFSFQBHSE-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FyIkPnaHCz2 |
|---|---|
| Name | cis-2,3-Epoxy-4S-(hydroxymethyl)-isophorone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-9(2)4-6(12)8-10(3,13-8)7(9)5-11/h7-8,11H,4-5H2,1-3H3 |
| InChIKey | DFZYUNFSFQBHSE-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C12C(CC(C(C2(O1)C)CO)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817319 |