| SpectraBase Spectrum ID |
5J8UDmewfCQ |
| Name |
5-(2,2-Dimethyl-3-oxolanyl)-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-13(2)10(5-6-16-13)9-3-4-11-12(7-9)15-8-14-11/h3-4,7,10H,5-6,8H2,1-2H3 |
| InChIKey |
ZDQWEMUTXRLQAN-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C=1(C2C(OCC2)(C)C)C=C2OCOC2=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958503 |
