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benzoic acid, 2-chloro-5-(1-piperidinylsulfonyl)-, 5,7-dichloro-8-quinolinyl ester

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benzoic acid, 2-chloro-5-(1-piperidinylsulfonyl)-, 5,7-dichloro-8-quinolinyl ester
SpectraBase Compound ID 8J8n13VCDCI
InChI InChI=1S/C21H17Cl3N2O4S/c22-16-7-6-13(31(28,29)26-9-2-1-3-10-26)11-15(16)21(27)30-20-18(24)12-17(23)14-5-4-8-25-19(14)20/h4-8,11-12H,1-3,9-10H2
InChIKey RLWYRVQAYOQPLU-UHFFFAOYSA-N
Mol Weight 499.8 g/mol
Molecular Formula C21H17Cl3N2O4S
Exact Mass 497.997461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IEeumnue5L6
Name benzoic acid, 2-chloro-5-(1-piperidinylsulfonyl)-, 5,7-dichloro-8-quinolinyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.997461305 u
Formula C21H17Cl3N2O4S
InChI InChI=1S/C21H17Cl3N2O4S/c22-16-7-6-13(31(28,29)26-9-2-1-3-10-26)11-15(16)21(27)30-20-18(24)12-17(23)14-5-4-8-25-19(14)20/h4-8,11-12H,1-3,9-10H2
InChIKey RLWYRVQAYOQPLU-UHFFFAOYSA-N
Molecular Weight 499.796 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1203
Solvent DMSO-d6
Source Vendor ID: NMR/8267127; Lab Info: SP; Lab Number: SP-0002343