| SpectraBase Compound ID | 4pEFXf4oGIn |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-14-12(15-2)9-7-16-10-6-4-3-5-8(10)11(9)13/h3-7,12H,1-2H3 |
| InChIKey | IBJPTWMSGRPQOK-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BiKQUMR4fEN |
|---|---|
| Name | Chromone, 3-dimethoxymethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-14-12(15-2)9-7-16-10-6-4-3-5-8(10)11(9)13/h3-7,12H,1-2H3 |
| InChIKey | IBJPTWMSGRPQOK-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C=1(C(C2=C(OC1)C=CC=C2)=O)C(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932003 |