SpectraBase Spectrum ID |
D79yvSEzWbI |
Name |
2,3-Diphenyl-4H-benzopyran-4-one - 7-o-N,N- dimethyl-thiocarbamate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
401.108564647 u |
Formula |
C24H19NO3S |
InChI |
InChI=1S/C24H19NO3S/c1-25(2)24(29)27-18-13-14-19-20(15-18)28-23(17-11-7-4-8-12-17)21(22(19)26)16-9-5-3-6-10-16/h3-15H,1-2H3 |
InChIKey |
CVIRJOVSABCVDF-UHFFFAOYSA-N |
Molecular Weight |
401.480 g/mol |
SMILES |
C1(=C(C(=O)C=2C(O1)=CC(OC(=S)N(C)C)=CC2)C=1C=CC=CC1)C1=CC=CC=C1 |