| SpectraBase Compound ID | Au5Frlja6Xa |
|---|---|
| InChI | InChI=1S/C13H16O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-4,6-8,13H,5,9-11H2 |
| InChIKey | OJCQIAAXTCLOAD-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C13H16O |
| Exact Mass | 188.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBiKjqnp5YH |
|---|---|
| Name | 2-(2-Phenylethyl)oxacyclohex-3-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.120115134 u |
| Formula | C13H16O |
| InChI | InChI=1S/C13H16O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-4,6-8,13H,5,9-11H2 |
| InChIKey | OJCQIAAXTCLOAD-UHFFFAOYSA-N |
| Molecular Weight | 188.270 g/mol |
| SMILES | C1(OCCC=C1)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833605 |