| SpectraBase Compound ID | 2wtftkqLXPd |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7H,1,8H2 |
| InChIKey | YSBCNSPSLYEHMZ-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 49hXnf6ldQY |
|---|---|
| Name | 1-Phenoxy-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.068079560 u |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h2-7H,1,8H2 |
| InChIKey | YSBCNSPSLYEHMZ-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C(C(=O)COC=1C=CC=CC1)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96755 |