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Acetic acid, 2-(2-cyano-5-nitrophenylthio)-, methyl ester
SpectraBase Compound ID 6oOQT7ORpFe
InChI InChI=1S/C10H8N2O4S/c1-16-10(13)6-17-9-4-8(12(14)15)3-2-7(9)5-11/h2-4H,6H2,1H3
InChIKey XQPVETYFNJPVRM-UHFFFAOYSA-N
Mol Weight 252.24 g/mol
Molecular Formula C10H8N2O4S
Exact Mass 252.020478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AhWoEfjo0Ba
Name acetic acid, [(2-cyano-5-nitrophenyl)thio]-, methyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C10H8N2O4S/c1-16-10(13)6-17-9-4-8(12(14)15)3-2-7(9)5-11/h2-4H,6H2,1H3
InChIKey XQPVETYFNJPVRM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7876
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZERO/003116; IOH_ID: IOH-014881