SpectraBase Spectrum ID |
AejYgMQ1YG3 |
Name |
4-Diphenylmethylene-4H-thiopyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
262.081621625 u |
Formula |
C18H14S |
InChI |
InChI=1S/C18H14S/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-14H |
InChIKey |
LFORWXJZRAECGW-UHFFFAOYSA-N |
Molecular Weight |
262.370 g/mol |
SMILES |
C(=C1C=CSC=C1)(C1=CC=CC=C1)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88945 |