SpectraBase Spectrum ID |
I30BRvmro1Z |
Name |
7-Hydroxy-3-(3,4-methylenedioxyphenyl)-4-chromanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.068473481 u |
Formula |
C16H12O5 |
InChI |
InChI=1S/C16H12O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-6,12,17H,7-8H2 |
InChIKey |
UGMTXSZTANLUES-UHFFFAOYSA-N |
SMILES |
C12=C(C=C(C=C2)O)OCC(C1=O)C1=CC2=C(C=C1)OCO2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857286 |