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acetamide, N-[4-[(5E)-5-[[4-(acetyloxy)-3-chloro-5-methoxyphenyl]methylene]-2-imino-4-oxothiazolidinyl]-1,2,5-oxadiazol-3-yl]-
SpectraBase Compound ID 4OVMABseNCA
InChI InChI=1S/C17H14ClN5O6S/c1-7(24)20-14-15(22-29-21-14)23-16(26)12(30-17(23)19)6-9-4-10(18)13(28-8(2)25)11(5-9)27-3/h4-6,19H,1-3H3,(H,20,21,24)/b12-6+,19-17?
InChIKey IHSWXAUECZEBOY-CFQCKQDGSA-N
Mol Weight 451.84 g/mol
Molecular Formula C17H14ClN5O6S
Exact Mass 451.035332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JP8ujCXpjJY
Name acetamide, N-[4-[(5E)-5-[[4-(acetyloxy)-3-chloro-5-methoxyphenyl]methylene]-2-imino-4-oxothiazolidinyl]-1,2,5-oxadiazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.035332059 u
Formula C17H14ClN5O6S
InChI InChI=1S/C17H14ClN5O6S/c1-7(24)20-14-15(22-29-21-14)23-16(26)12(30-17(23)19)6-9-4-10(18)13(28-8(2)25)11(5-9)27-3/h4-6,19H,1-3H3,(H,20,21,24)/b12-6+,19-17?
InChIKey IHSWXAUECZEBOY-CFQCKQDGSA-N
Molecular Weight 451.841 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14652
Solvent DMSO-d6
Source Vendor ID: NMR/10310751; Lab Info: SAD; Lab Number: 91