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

View entire compound with spectra: 1 NMR

6-({[4-chloro-1-methyl-3-(trifluoromethyl)-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 AjTVH004LOv
InChI InChI=1S/C14H14ClF3N4O4S/c1-13(2)8(12(25)26)22-10(24)5(11(22)27-13)19-9(23)6-4(15)7(14(16,17)18)20-21(6)3/h5,8,11H,1-3H3,(H,19,23)(H,25,26)
InChIKey QWIJURZRRRIRDV-UHFFFAOYSA-N
Mol Weight 426.8 g/mol
Molecular Formula C14H14ClF3N4O4S
Exact Mass 426.037638 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C2yZ7TzuPNq
Name 6-({[4-chloro-1-methyl-3-(trifluoromethyl)-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/C14H14ClF3N4O4S/c1-13(2)8(12(25)26)22-10(24)5(11(22)27-13)19-9(23)6-4(15)7(14(16,17)18)20-21(6)3/h5,8,11H,1-3H3,(H,19,23)(H,25,26)
InChIKey QWIJURZRRRIRDV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21087
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/1262540; Labnumber: ZIL0112; UZI_ID: UZI-021095
Temperature 308 °C