Methyl ({3-[(4-chlorophenyl)sulfonyl]-2-methyl-5-nitrophenyl}sulfanyl)acetate

SpectraBase Compound ID	EkpgVIoDoeU
InChI	InChI=1S/C16H14ClNO6S2/c1-10-14(25-9-16(19)24-2)7-12(18(20)21)8-15(10)26(22,23)13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3
InChIKey	OPIIMRKVXNXRSJ-UHFFFAOYSA-N Google Search
Mol Weight	415.86 g/mol
Molecular Formula	C16H14ClNO6S2
Exact Mass	414.995107 g/mol

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SpectraBase Spectrum ID	AFkkKenraoK
Name	acetic acid, [[3-[(4-chlorophenyl)sulfonyl]-2-methyl-5-nitrophenyl]thio]-, methyl 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	414.995107217 u
Formula	C16H14ClNO6S2
InChI	InChI=1S/C16H14ClNO6S2/c1-10-14(25-9-16(19)24-2)7-12(18(20)21)8-15(10)26(22,23)13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3
InChIKey	OPIIMRKVXNXRSJ-UHFFFAOYSA-N
Molecular Weight	415.862 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_15287
Solvent	DMSO-d6
Source	Vendor ID: NMR/11210907; Lab Info: DUT; Lab Number: DUT-dso0336