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ethyl 3-methyl-5-(4-nitroanilino)-4-isothiazolecarboxylate

View entire compound with spectra: 1 NMR

ethyl 3-methyl-5-(4-nitroanilino)-4-isothiazolecarboxylate
SpectraBase Compound ID IQ8Qaah2Iwb
InChI InChI=1S/C13H13N3O4S/c1-3-20-13(17)11-8(2)15-21-12(11)14-9-4-6-10(7-5-9)16(18)19/h4-7,14H,3H2,1-2H3
InChIKey WBBYZBDNVMDCGS-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C13H13N3O4S
Exact Mass 307.062677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFny466cRtZ
Name ethyl 3-methyl-5-(4-nitroanilino)-4-isothiazolecarboxylate
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/C13H13N3O4S/c1-3-20-13(17)11-8(2)15-21-12(11)14-9-4-6-10(7-5-9)16(18)19/h4-7,14H,3H2,1-2H3
InChIKey WBBYZBDNVMDCGS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14846
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: UZI/1020377; UBI_ID: UBI-014849
Temperature 318 °C