| SpectraBase Compound ID | 21Rd3t30D7i |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2,4,8H,3,5-6H2,1H3 |
| InChIKey | FXSYLLOSVITTGP-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HOavAQIWZ9J |
|---|---|
| Name | 2-Cyclohexen-1-one, 4-(2-oxopropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2,4,8H,3,5-6H2,1H3 |
| InChIKey | FXSYLLOSVITTGP-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C(CC1CCC(C=C1)=O)(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971852 |