| SpectraBase Compound ID | ADcjbMFxF4a |
|---|---|
| InChI | InChI=1S/C10H8O4/c1-13-7-2-3-8-6(4-7)5-9(11)14-10(8)12/h2-4H,5H2,1H3 |
| InChIKey | VUFLZZFTFXJPSP-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042259 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 | 7HWawLuiOUn |
|---|---|
| Name | 6-Methoxyisochromane-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.042258734 u |
| Formula | C10H8O4 |
| InChI | InChI=1S/C10H8O4/c1-13-7-2-3-8-6(4-7)5-9(11)14-10(8)12/h2-4H,5H2,1H3 |
| InChIKey | VUFLZZFTFXJPSP-UHFFFAOYSA-N |
| Molecular Weight | 192.170 g/mol |
| SMILES | C1(OC(=O)CC2=C1C=CC(OC)=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956365 |