| SpectraBase Compound ID | ITTYvtI94Tv |
|---|---|
| InChI | InChI=1S/C9H8O2/c10-6-9(7-11-9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey | NJFLKBBNKQGJMS-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C9H8O2 |
| Exact Mass | 148.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5C7u49u0MpT |
|---|---|
| Name | 2-Phenyl-2-oxirancarbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.052429496 u |
| Formula | C9H8O2 |
| InChI | InChI=1S/C9H8O2/c10-6-9(7-11-9)8-4-2-1-3-5-8/h1-6H,7H2 |
| InChIKey | NJFLKBBNKQGJMS-UHFFFAOYSA-N |
| Molecular Weight | 148.161 g/mol |
| SMILES | C1=CC(=CC=C1)C1(C=O)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886725 |