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6-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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6-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SpectraBase Compound ID F4p8JVWBWd9
InChI InChI=1S/C14H17ClN4O4S/c1-5-6(15)8(18(4)17-5)10(20)16-7-11(21)19-9(13(22)23)14(2,3)24-12(7)19/h7,9,12H,1-4H3,(H,16,20)(H,22,23)
InChIKey PUDFLKRUHJQKOB-UHFFFAOYSA-N
Mol Weight 372.83 g/mol
Molecular Formula C14H17ClN4O4S
Exact Mass 372.065904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Afri7POdHVn
Name 6-{[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
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/C14H17ClN4O4S/c1-5-6(15)8(18(4)17-5)10(20)16-7-11(21)19-9(13(22)23)14(2,3)24-12(7)19/h7,9,12H,1-4H3,(H,16,20)(H,22,23)
InChIKey PUDFLKRUHJQKOB-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14669
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/1019938; UBI_ID: UBI-014672
Temperature 308 °C