| SpectraBase Compound ID | 71TfpuvAztI |
|---|---|
| InChI | InChI=1S/C12H10O4/c1-6-10(14)7-4-3-5-8(13)9(7)11(15)12(6)16-2/h3-5,13H,1-2H3 |
| InChIKey | WIQMWNKYSYJIQG-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A7S6iK0sBlk |
|---|---|
| Name | 3-Methoxyplumbagin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c1-6-10(14)7-4-3-5-8(13)9(7)11(15)12(6)16-2/h3-5,13H,1-2H3 |
| InChIKey | WIQMWNKYSYJIQG-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | C1(=C(C(=O)C=2C(C1=O)=CC=CC2O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952436 |