| SpectraBase Spectrum ID |
LcGf6tv8Ifm |
| Name |
5,10,15-Tribenzoyl-truxene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
654.219494823 u |
| Formula |
C48H30O3 |
| InChI |
InChI=1S/C48H30O3/c49-46(28-16-4-1-5-17-28)40-34-25-13-10-22-31(34)37-43(40)38-32-23-11-14-26-35(32)41(47(50)29-18-6-2-7-19-29)45(38)39-33-24-12-15-27-36(33)42(44(37)39)48(51)30-20-8-3-9-21-30/h1-27,40-42H/t40-,41-,42+/m1/s1 |
| InChIKey |
DLPRJDDDUNVTSN-UJYRSYRGSA-N |
| Molecular Weight |
654.765 g/mol |
| SMILES |
C12=C3C(C=4C=CC=CC4[C@@]3(C(=O)C3=CC=CC=C3)[H])=C3C(=C1[C@](C(=O)C=1C=CC=CC1)(C1=C2C=CC=C1)[H])C1=C(C=CC=C1)[C@]3(C(=O)C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945917 |
