| SpectraBase Compound ID | 3zbK8xyACD6 |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5H,2-4H2,1H3 |
| InChIKey | WPVDAEVIRRJGHN-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | pP5ON8M5WR |
|---|---|
| Name | 3-Methyl-3,4,5,6-tetrahydrophthalic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.062994179 u |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h5H,2-4H2,1H3 |
| InChIKey | WPVDAEVIRRJGHN-UHFFFAOYSA-N |
| SMILES | C1(OC(=O)C2=C1CCCC2C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990613 |