2-[2-(2-Chloro-10H-phenothizin-10-yl)-2-oxoethyl]-1hisoindole-1,3(2H)-dione

SpectraBase Compound ID	90lljhgtWfw
InChI	InChI=1S/C22H13ClN2O3S/c23-13-9-10-19-17(11-13)25(16-7-3-4-8-18(16)29-19)20(26)12-24-21(27)14-5-1-2-6-15(14)22(24)28/h1-11H,12H2
InChIKey	JVBSTILYONETTE-UHFFFAOYSA-N Google Search
Mol Weight	420.87 g/mol
Molecular Formula	C22H13ClN2O3S
Exact Mass	420.033541 g/mol

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SpectraBase Spectrum ID	2sWGjt1Ndaj
Name	2-[2-(2-Chloro-10H-phenothizin-10-yl)-2-oxoethyl]-1hisoindole-1,3(2H)-dione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	420.033541158 u
Formula	C22H13ClN2O3S
InChI	InChI=1S/C22H13ClN2O3S/c23-13-9-10-19-17(11-13)25(16-7-3-4-8-18(16)29-19)20(26)12-24-21(27)14-5-1-2-6-15(14)22(24)28/h1-11H,12H2
InChIKey	JVBSTILYONETTE-UHFFFAOYSA-N
Molecular Weight	420.870 g/mol
SMILES	C1(N(C(C=2C=CC=CC12)=O)CC(N1C=2C(=CC=C(C2)Cl)SC2=C1C=CC=C2)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.966155