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6-{[(4-bromo-1,5-dimethyl-1H-pyrazol-3-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-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SpectraBase Compound ID 75nRJqimBHX
InChI InChI=1S/C14H17BrN4O4S/c1-5-6(15)7(17-18(5)4)10(20)16-8-11(21)19-9(13(22)23)14(2,3)24-12(8)19/h8-9,12H,1-4H3,(H,16,20)(H,22,23)
InChIKey YHHIYUUZHOYMNP-UHFFFAOYSA-N
Mol Weight 417.28 g/mol
Molecular Formula C14H17BrN4O4S
Exact Mass 416.015389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4C9eF0GVVDT
Name 6-{[(4-bromo-1,5-dimethyl-1H-pyrazol-3-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/C14H17BrN4O4S/c1-5-6(15)7(17-18(5)4)10(20)16-8-11(21)19-9(13(22)23)14(2,3)24-12(8)19/h8-9,12H,1-4H3,(H,16,20)(H,22,23)
InChIKey YHHIYUUZHOYMNP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14574
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/1019728; UBI_ID: UBI-014577
Temperature 308 °C