SpectraBase Spectrum ID |
ApMY968289O |
Name |
Methyl 7-methoxy-2H-1,3-benzodioxole-4-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
210.052823417 u |
Formula |
C10H10O5 |
InChI |
InChI=1S/C10H10O5/c1-12-7-4-3-6(10(11)13-2)8-9(7)15-5-14-8/h3-4H,5H2,1-2H3 |
InChIKey |
INTJVRIGDKZOJI-UHFFFAOYSA-N |
Molecular Weight |
210.185 g/mol |
SMILES |
C1OC2=C(OC)C=CC(=C2O1)C(OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855233 |