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3-[(acetyloxy)methyl]-7-{[(3-methyl-1H-pyrazol-1-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SpectraBase Compound ID FfagSpWfoXF
InChI InChI=1S/C16H18N4O6S/c1-8-3-4-19(18-8)5-11(22)17-12-14(23)20-13(16(24)25)10(6-26-9(2)21)7-27-15(12)20/h3-4,12,15H,5-7H2,1-2H3,(H,17,22)(H,24,25)
InChIKey STUBRIDAXDFXEX-UHFFFAOYSA-N
Mol Weight 394.4 g/mol
Molecular Formula C16H18N4O6S
Exact Mass 394.094705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5xpYrgIyvLP
Name 3-[(acetyloxy)methyl]-7-{[(3-methyl-1H-pyrazol-1-yl)acetyl]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/C16H18N4O6S/c1-8-3-4-19(18-8)5-11(22)17-12-14(23)20-13(16(24)25)10(6-26-9(2)21)7-27-15(12)20/h3-4,12,15H,5-7H2,1-2H3,(H,17,22)(H,24,25)
InChIKey STUBRIDAXDFXEX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21088
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/1265177; Labnumber: ZIL0113; UZI_ID: UZI-021096
Temperature 308 °C