| SpectraBase Compound ID | JSKnIsw5fvy |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-4-6(10)7(11)5(2)9(13-3)8(4)12/h10H,1-3H3 |
| InChIKey | YYPQLDVIQXWGQX-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CG5ycv5I3GF |
|---|---|
| Name | 3,6-Dimethyl-2-hydroxy-5-methoxy-1,4-benzochinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-4-6(10)7(11)5(2)9(13-3)8(4)12/h10H,1-3H3 |
| InChIKey | YYPQLDVIQXWGQX-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C1(C(=C(C(C(=C1C)OC)=O)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974636 |