| SpectraBase Spectrum ID |
KzBViIJFAwr |
| Name |
Dimethyl 6-benzo[1,3]dioxol-5-yl-3-methoxycarbonyl-2-oxo-2H-pyran-4-ylmalonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.074346705 u |
| Formula |
C19H16O10 |
| InChI |
InChI=1S/C19H16O10/c1-24-16(20)14(17(21)25-2)10-7-12(29-19(23)15(10)18(22)26-3)9-4-5-11-13(6-9)28-8-27-11/h4-7,14H,8H2,1-3H3 |
| InChIKey |
GJHONORJHJAAIA-UHFFFAOYSA-N |
| Molecular Weight |
404.327 g/mol |
| SMILES |
C1(=C(C(=O)OC(=C1)C=1C=C2OCOC2=CC1)C(=O)OC)C(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965326 |
![Dimethyl 6-benzo[1,3]dioxol-5-yl-3-methoxycarbonyl-2-oxo-2H-pyran-4-ylmalonate](/api/spectrum/KzBViIJFAwr/structure.png?h=300&w=458 "Dimethyl 6-benzo[1,3]dioxol-5-yl-3-methoxycarbonyl-2-oxo-2H-pyran-4-ylmalonate")
