acetic acid, [[3-cyano-4-(methoxymethyl)-6-methyl-5-nitro-2-pyridinyl]thio]-, ethyl ester

SpectraBase Compound ID	C9OVggbRUFw
InChI	InChI=1S/C13H15N3O5S/c1-4-21-11(17)7-22-13-9(5-14)10(6-20-3)12(16(18)19)8(2)15-13/h4,6-7H2,1-3H3
InChIKey	PEQMUECBZMRNKT-UHFFFAOYSA-N Google Search
Mol Weight	325.34 g/mol
Molecular Formula	C13H15N3O5S
Exact Mass	325.073242 g/mol

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SpectraBase Spectrum ID	DSSNBbSeUA6
Name	acetic acid, [[3-cyano-4-(methoxymethyl)-6-methyl-5-nitro-2-pyridinyl]thio]-, ethyl 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/C13H15N3O5S/c1-4-21-11(17)7-22-13-9(5-14)10(6-20-3)12(16(18)19)8(2)15-13/h4,6-7H2,1-3H3
InChIKey	PEQMUECBZMRNKT-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3659
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: ZI/9067584; Labnumber: JMR-ZERO008