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acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(2-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester
SpectraBase Compound ID GTwKbkukey1
InChI InChI=1S/C21H17N3O5S/c22-11-17-16(15-8-4-5-9-18(15)24(27)28)10-19(25)23-21(17)30-13-20(26)29-12-14-6-2-1-3-7-14/h1-9,16H,10,12-13H2,(H,23,25)
InChIKey FZFBFFJCVVQTPM-UHFFFAOYSA-N
Mol Weight 423.44 g/mol
Molecular Formula C21H17N3O5S
Exact Mass 423.088892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4nnSfdA3oCi
Name acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(2-nitrophenyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl 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/C21H17N3O5S/c22-11-17-16(15-8-4-5-9-18(15)24(27)28)10-19(25)23-21(17)30-13-20(26)29-12-14-6-2-1-3-7-14/h1-9,16H,10,12-13H2,(H,23,25)
InChIKey FZFBFFJCVVQTPM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2346
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: NMR/9253227; Labnumber: KR-0000081
Temperature 303 °C