| SpectraBase Spectrum ID |
9nr4JGekBVJ |
| Name |
(Z)-1-(4-Chlorophenyl)-3-(3-phenyl-1-tosyl-1H-indol-2-yl)prop-2-en-1-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.100892443 u |
| Formula |
C30H22ClNO3S |
| InChI |
InChI=1S/C30H22ClNO3S/c1-21-11-17-25(18-12-21)36(34,35)32-27-10-6-5-9-26(27)30(23-7-3-2-4-8-23)28(32)19-20-29(33)22-13-15-24(31)16-14-22/h2-20H,1H3/b20-19- |
| InChIKey |
NOESOEOQTCNQKD-VXPUYCOJSA-N |
| Molecular Weight |
512.023 g/mol |
| SMILES |
C1(S(N2C3=C(C(C=4C=CC=CC4)=C2\C=C/C(C2=CC=C(C=C2)Cl)=O)C=CC=C3)(=O)=O)=CC=C(C)C=C1 |
