SpectraBase Spectrum ID |
2zmILzh6kF0 |
Name |
7H-Phenaleno[1,2-D][1,3]dioxol-7-one, 9-(4-methoxyphenyl)-9-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
406.120509056 u |
Formula |
C27H18O4 |
InChI |
InChI=1S/C27H18O4/c1-29-20-15-13-19(14-16-20)27(18-9-3-2-4-10-18)30-25-22-12-6-8-17-7-5-11-21(23(17)22)24(28)26(25)31-27/h2-16H,1H3 |
InChIKey |
GKOXCJSRQQFHCO-UHFFFAOYSA-N |
Molecular Weight |
406.437 g/mol |
SMILES |
C12=C(OC(O2)(C2=CC=C(C=C2)OC)C=2C=CC=CC2)C=2C=CC=C3C2C(C1=O)=CC=C3 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822133 |