| SpectraBase Spectrum ID |
KxhyUyKbO75 |
| Name |
3-(4,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)-2-methylprop-2-enal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-8(6-14)4-9-5-10(15-2)12-13(11(9)16-3)18-7-17-12/h4-6H,7H2,1-3H3/b8-4- |
| InChIKey |
VTXYYBRTQKHPRW-YWEYNIOJSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C12=C(C(=C(C=C2OC)\C=C\(C)C=O)OC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815158 |
