| SpectraBase Spectrum ID |
QozkXrSPhS |
| Name |
1,3-Propanedione, 1,3-diphenyl-2-(9H-thioxanthen-9-ylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.102750992 u |
| Formula |
C28H18O2S |
| InChI |
InChI=1S/C28H18O2S/c29-27(19-11-3-1-4-12-19)26(28(30)20-13-5-2-6-14-20)25-21-15-7-9-17-23(21)31-24-18-10-8-16-22(24)25/h1-18H |
| InChIKey |
NSWLMINMVBEDOE-UHFFFAOYSA-N |
| Molecular Weight |
418.510 g/mol |
| SMILES |
C=1(C=CC=CC1)C(C(C(=O)C1=CC=CC=C1)=C1C2=CC=CC=C2SC2=CC=CC=C12)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871076 |
