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3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 5OvhdL6GvWz
InChI InChI=1S/C13H16N2O4/c1-6-5-7(2)15(14-6)12(16)10-8-3-4-9(19-8)11(10)13(17)18/h5,8-11H,3-4H2,1-2H3,(H,17,18)/t8-,9+,10+,11+/m0/s1
InChIKey AOFJPWBHGXBNTE-LNFKQOIKSA-N
Mol Weight 264.28 g/mol
Molecular Formula C13H16N2O4
Exact Mass 264.111007 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LNlkqwqw1Zm
Name 3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-7-oxabicyclo[2.2.1]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/C13H16N2O4/c1-6-5-7(2)15(14-6)12(16)10-8-3-4-9(19-8)11(10)13(17)18/h5,8-11H,3-4H2,1-2H3,(H,17,18)/t8-,9+,10+,11+/m0/s1
InChIKey AOFJPWBHGXBNTE-LNFKQOIKSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19951
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/9154414; UBI_ID: UBI-019955
Temperature 313 °C