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object
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_id
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EODd8nyaqpD
spectrumID
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EODd8nyaqpD
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NY2X:152347:1
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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7-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID 843cvWWjWvS
InChI InChI=1S/C14H15N5O6S/c1-3-17-4-7(19(24)25)8(16-17)11(20)15-9-12(21)18-10(14(22)23)6(2)5-26-13(9)18/h4,9,13H,3,5H2,1-2H3,(H,15,20)(H,22,23)
InChIKey NGSKRILROMZBSL-UHFFFAOYSA-N
Mol Weight 381.36 g/mol
Molecular Formula C14H15N5O6S
Exact Mass 381.074304 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EODd8nyaqpD
Name 7-{[(1-ethyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H15N5O6S/c1-3-17-4-7(19(24)25)8(16-17)11(20)15-9-12(21)18-10(14(22)23)6(2)5-26-13(9)18/h4,9,13H,3,5H2,1-2H3,(H,15,20)(H,22,23)
InChIKey NGSKRILROMZBSL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21056
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/1028061; Labnumber: ZIL0031; UZI_ID: UZI-021064
Temperature 308 °C
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