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3-[(acetyloxy)methyl]-7-({[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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3-[(acetyloxy)methyl]-7-({[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID ATa7YozPxmq
InChI InChI=1S/C17H18F2N4O6S/c1-6-10(7(2)23(21-6)17(18)19)13(25)20-11-14(26)22-12(16(27)28)9(4-29-8(3)24)5-30-15(11)22/h11,15,17H,4-5H2,1-3H3,(H,20,25)(H,27,28)
InChIKey VGIIZXGKYIOMQQ-UHFFFAOYSA-N
Mol Weight 444.41 g/mol
Molecular Formula C17H18F2N4O6S
Exact Mass 444.091512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hCR6RHgeuM
Name 3-[(acetyloxy)methyl]-7-({[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-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/C17H18F2N4O6S/c1-6-10(7(2)23(21-6)17(18)19)13(25)20-11-14(26)22-12(16(27)28)9(4-29-8(3)24)5-30-15(11)22/h11,15,17H,4-5H2,1-3H3,(H,20,25)(H,27,28)
InChIKey VGIIZXGKYIOMQQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21090
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/1263968; Labnumber: ZIL0116; UZI_ID: UZI-021098
Temperature 308 °C