![5-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one](/api/spectrum/7yMPA0Zlj12/structure.png?h=300&w=458 "5-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one")
| SpectraBase Compound ID | 2NbFU4DtnFF |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-10-9-6-11(9,7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | GCZFCAPAERNAAO-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7yMPA0Zlj12 |
|---|---|
| Name | 5-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-10-9-6-11(9,7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey | GCZFCAPAERNAAO-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C12(C(C(=O)OC2)C1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920536 |