| SpectraBase Spectrum ID |
7EqNJuoSnpw |
| Name |
Coumarin-3-carboxylic acid, 4-benzyloxycarbonylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.094688229 u |
| Formula |
C24H16O6 |
| InChI |
InChI=1S/C24H16O6/c25-22(28-15-16-6-2-1-3-7-16)17-10-12-19(13-11-17)29-23(26)20-14-18-8-4-5-9-21(18)30-24(20)27/h1-14H,15H2 |
| InChIKey |
NBKQQFPFGOMORM-UHFFFAOYSA-N |
| Molecular Weight |
400.386 g/mol |
| SMILES |
C=1(C(OC=2C(C1)=CC=CC2)=O)C(OC1=CC=C(C(OCC2=CC=CC=C2)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956358 |
