SpectraBase Spectrum ID |
4MJYEBr6OZ5 |
Name |
bis(7-oxy-4-Methylcoumarin)succinyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
434.100167532 u |
Formula |
C24H18O8 |
InChI |
InChI=1S/C24H18O8/c1-13-9-23(27)31-19-11-15(3-5-17(13)19)29-21(25)7-8-22(26)30-16-4-6-18-14(2)10-24(28)32-20(18)12-16/h3-6,9-12H,7-8H2,1-2H3 |
InChIKey |
YYNXUAJYCRQMEZ-UHFFFAOYSA-N |
Molecular Weight |
434.400 g/mol |
SMILES |
C1=2OC(=O)C=C(C2C=CC(=C1)OC(=O)CCC(OC1=CC=2OC(=O)C=C(C2C=C1)C)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955522 |