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object
{15}
_id
:
DY3AqPNvJA2
spectrumID
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DY3AqPNvJA2
cost
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1
specType
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8388608
xnmrNucleus
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dbLocation
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NY2X:152359:1
hasStructureAssignments
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properties
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
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compound
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1735074081058
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7-{[(1,3-diphenyl-1H-pyrazol-4-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID 2SY7Is7aJxq
InChI InChI=1S/C24H20N4O4S/c1-14-13-33-23-19(22(30)28(23)20(14)24(31)32)25-21(29)17-12-27(16-10-6-3-7-11-16)26-18(17)15-8-4-2-5-9-15/h2-12,19,23H,13H2,1H3,(H,25,29)(H,31,32)
InChIKey FGWFXCNGWQJJSC-UHFFFAOYSA-N
Mol Weight 460.51 g/mol
Molecular Formula C24H20N4O4S
Exact Mass 460.120526 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 DY3AqPNvJA2
Name 7-{[(1,3-diphenyl-1H-pyrazol-4-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/C24H20N4O4S/c1-14-13-33-23-19(22(30)28(23)20(14)24(31)32)25-21(29)17-12-27(16-10-6-3-7-11-16)26-18(17)15-8-4-2-5-9-15/h2-12,19,23H,13H2,1H3,(H,25,29)(H,31,32)
InChIKey FGWFXCNGWQJJSC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21068
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/1030880; Labnumber: ZIL0066; UZI_ID: UZI-021076
Temperature 308 °C
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