| SpectraBase Compound ID | 8a6QQPK7mLR |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6H,1-2H3 |
| InChIKey | QIFQXJRJVNMFLR-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 | Hg5Mn0NbVMK |
|---|---|
| Name | 1-(4-Methylphenyl)-1,2-propanedione;mppd |
| 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/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6H,1-2H3 |
| InChIKey | QIFQXJRJVNMFLR-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C(=O)(C(=O)C)C1=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926305 |