SpectraBase Spectrum ID |
LYvBDg43W8R |
Name |
1,3,5-Tribenzoylbenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
390.125594437 u |
Formula |
C27H18O3 |
InChI |
InChI=1S/C27H18O3/c28-25(19-10-4-1-5-11-19)22-16-23(26(29)20-12-6-2-7-13-20)18-24(17-22)27(30)21-14-8-3-9-15-21/h1-18H |
InChIKey |
FDSRSUAVHPFWGT-UHFFFAOYSA-N |
Molecular Weight |
390.438 g/mol |
SMILES |
C=1C(=CC(=CC1C(C=1C=CC=CC1)=O)C(=O)C=1C=CC=CC1)C(C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Raman) |
0.994677 |