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N-(3-chlorophenyl)-1-(2-hydroxyethylsulfanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxamide
SpectraBase Compound ID 7bntEpHDoPp
InChI InChI=1S/C23H16ClNO4S/c24-13-4-3-5-14(12-13)25-23(29)18-9-8-17-19(22(18)30-11-10-26)21(28)16-7-2-1-6-15(16)20(17)27/h1-9,12,26H,10-11H2,(H,25,29)
InChIKey FWQOERBDOUAYKQ-UHFFFAOYSA-N
Mol Weight 437.9 g/mol
Molecular Formula C23H16ClNO4S
Exact Mass 437.048857 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9EzjHTSmAP4
Name N-(3-Chlorophenyl)-1-(2-hydroxyethylsulfanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.048856869 u
Formula C23H16ClNO4S
InChI InChI=1S/C23H16ClNO4S/c24-13-4-3-5-14(12-13)25-23(29)18-9-8-17-19(22(18)30-11-10-26)21(28)16-7-2-1-6-15(16)20(17)27/h1-9,12,26H,10-11H2,(H,25,29)
InChIKey FWQOERBDOUAYKQ-UHFFFAOYSA-N
Molecular Weight 437.897 g/mol
SMILES C1=2C(C=3C=CC=CC3C(C2C=CC(=C1SCCO)C(NC=1C=C(Cl)C=CC1)=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907796