| SpectraBase Spectrum ID |
GddlcdTDbbn |
| Name |
(S,S)-1,8-bis[(4-Phenylmethyl)oxazolin-2-yl]anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.189257321 u |
| Formula |
C34H26N2O4 |
| InChI |
InChI=1S/C34H26N2O4/c37-31-25-13-7-15-27(33-35-23(19-39-33)17-21-9-3-1-4-10-21)29(25)32(38)30-26(31)14-8-16-28(30)34-36-24(20-40-34)18-22-11-5-2-6-12-22/h1-16,23-24H,17-20H2/t23-,24-/m0/s1 |
| InChIKey |
QQMJVHOBTNUJHZ-ZEQRLZLVSA-N |
| Molecular Weight |
526.592 g/mol |
| SMILES |
C1(C2=C(C=CC=C2C2=N[C@@](CC3=CC=CC=C3)(CO2)[H])C(C=2C1=C(C1=N[C@@](CC=3C=CC=CC3)(CO1)[H])C=CC2)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807759 |
![(S,S)-1,8-Bis[(4-phenylmethyl)oxazolin-2-yl]anthraquinone](/api/spectrum/GddlcdTDbbn/structure.png?h=300&w=458 "(S,S)-1,8-Bis[(4-phenylmethyl)oxazolin-2-yl]anthraquinone")
