| SpectraBase Spectrum ID |
8PPYOezjUHm |
| Name |
Methyl 2-(2,3-dihydro-1,4-benzodioxin-2-ylmethoxy)propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.099773610 u |
| Formula |
C13H16O5 |
| InChI |
InChI=1S/C13H16O5/c1-9(13(14)15-2)16-7-10-8-17-11-5-3-4-6-12(11)18-10/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey |
NRZKRWRAJLQOHW-UHFFFAOYSA-N |
| Molecular Weight |
252.266 g/mol |
| SMILES |
C1=CC=C2C(=C1)OCC(COC(C(OC)=O)C)O2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912682 |
