| SpectraBase Spectrum ID |
BRGuI3D58Pe |
| Name |
1-(2H-1,3-Benzodioxol-5-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.079038165 u |
| Formula |
C18H14O6 |
| InChI |
InChI=1S/C18H14O6/c1-20-16-6-11(7-17-18(16)24-10-23-17)2-4-13(19)12-3-5-14-15(8-12)22-9-21-14/h2-8H,9-10H2,1H3/b4-2+ |
| InChIKey |
PNGRDCSCYSOHEZ-DUXPYHPUSA-N |
| Molecular Weight |
326.304 g/mol |
| SMILES |
C1(=C2C(=CC(=C1)\C=C\C(=O)C1=CC=C3C(=C1)OCO3)OCO2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884135 |
