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1-{[5-(methoxycarbonyl)-2-furyl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium iodide
SpectraBase Compound ID FllhLqQPZ7V
InChI InChI=1S/C13H17N2O3.HI/c1-9-7-10(2)15(14(9)3)8-11-5-6-12(18-11)13(16)17-4;/h5-7H,8H2,1-4H3;1H/q+1;/p-1
InChIKey CLGAZQVFXZMUTK-UHFFFAOYSA-M
Mol Weight 376.19 g/mol
Molecular Formula C13H17IN2O3
Exact Mass 376.028387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5CekQqWQO9L
Name 1-{[5-(methoxycarbonyl)-2-furyl]methyl}-2,3,5-trimethyl-1H-pyrazol-2-ium iodide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.028387412 u
Formula C13H17IN2O3
InChI InChI=1S/C13H17N2O3.HI/c1-9-7-10(2)15(14(9)3)8-11-5-6-12(18-11)13(16)17-4;/h5-7H,8H2,1-4H3;1H/q+1;/p-1
InChIKey CLGAZQVFXZMUTK-UHFFFAOYSA-M
Molecular Weight 376.194 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9038
Solvent DMSO-d6
Source Vendor ID: NMR/13228218