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3-[({(2Z)-3-ethyl-2-[(Z)-ethylimino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID J6HhcOe1p8T
InChI InChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)13(20)9-12(24-16)14(21)18-11-7-5-6-10(8-11)15(22)23/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)(H,22,23)/b17-16-
InChIKey TZMGAZSFYOBZAW-MSUUIHNZSA-N
Mol Weight 349.41 g/mol
Molecular Formula C16H19N3O4S
Exact Mass 349.109627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6fShL2n8hOA
Name 3-[({(2Z)-3-ethyl-2-[(Z)-ethylimino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.109627274 u
Formula C16H19N3O4S
InChI InChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)13(20)9-12(24-16)14(21)18-11-7-5-6-10(8-11)15(22)23/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)(H,22,23)/b17-16-
InChIKey TZMGAZSFYOBZAW-MSUUIHNZSA-N
Molecular Weight 349.405 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1460
Solvent DMSO-d6
Source Vendor ID: NMR/12269822