SpectraBase Spectrum ID |
6NSzM58IHJ7 |
Name |
4-[2-[[4-(4-Nitrophenoxy)phenyl]thio]ethyl]quinazoline |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H17N3O3S |
InChI |
InChI=1S/C22H17N3O3S/c26-25(27)16-5-7-17(8-6-16)28-18-9-11-19(12-10-18)29-14-13-22-20-3-1-2-4-21(20)23-15-24-22/h1-12,15H,13-14H2 |
InChIKey |
JKZMDBNJFHZZRS-UHFFFAOYSA-N |
Molecular Weight |
403.456 g/mol |
SMILES |
c1(N(=O)=O)ccc(Oc2ccc(SCCc3c4c(cccc4)ncn3)cc2)cc1 |
SPLASH |
splash10-0a4i-0900000000-33d6769da1068033ed53 |
Source of Spectrum |
Y-34-1265-2 |
Wiley ID |
1370868 |