| SpectraBase Compound ID | H2hRmsa4A9g |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9(13)8-12(10(2)14-12)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3 |
| InChIKey | IMQGMNNPNFKWCI-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 90pVCGxJe0P |
|---|---|
| Name | (E)-2-Acetonyl-3-methyl-2-phenyloxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-9(13)8-12(10(2)14-12)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3 |
| InChIKey | IMQGMNNPNFKWCI-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1(OC1C)(C=1C=CC=CC1)CC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950606 |