SpectraBase Spectrum ID |
I1cHHw0CJFc |
Name |
2H-1-Benzopyran-2-one, 4-[2-(2-hydroxyphenyl)-1-methyl-2-oxoethoxy]-3-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.099773610 u |
Formula |
C19H16O5 |
InChI |
InChI=1S/C19H16O5/c1-11-18(14-8-4-6-10-16(14)24-19(11)22)23-12(2)17(21)13-7-3-5-9-15(13)20/h3-10,12,20H,1-2H3 |
InChIKey |
WXOGVNUGHOGBAR-UHFFFAOYSA-N |
Molecular Weight |
324.332 g/mol |
SMILES |
C1(=C(C(=O)OC=2C1=CC=CC2)C)OC(C(C=1C(O)=CC=CC1)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80486 |