SpectraBase Spectrum ID |
5RiYQjMwn6X |
Name |
3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
312.099773610 u |
Formula |
C18H16O5 |
InChI |
InChI=1S/C18H16O5/c1-10-13-6-5-12(19)9-15(13)23-18(20)17(10)11-4-7-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3 |
InChIKey |
AQGVQGLSKSEDGI-UHFFFAOYSA-N |
SMILES |
C=1(C(OC=2C(C1C)=CC=C(C2)O)=O)C1=CC(=C(OC)C=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89012 |