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4-Methoxy-3-nitrobenzyl 4-{[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1,2,5-oxadiazole-3-carboxylate
SpectraBase Compound ID KKBUYW8mqCk
InChI InChI=1S/C17H18N6O6/c1-10-6-11(2)22(19-10)9-18-16-15(20-29-21-16)17(24)28-8-12-4-5-14(27-3)13(7-12)23(25)26/h4-7H,8-9H2,1-3H3,(H,18,21)
InChIKey JDAZLXLCEBJTRK-UHFFFAOYSA-N
Mol Weight 402.37 g/mol
Molecular Formula C17H18N6O6
Exact Mass 402.128782 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DKaFloQz1tZ
Name 1,2,5-oxadiazole-3-carboxylic acid, 4-[[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino]-, (4-methoxy-3-nitrophenyl)methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.128782318 u
Formula C17H18N6O6
InChI InChI=1S/C17H18N6O6/c1-10-6-11(2)22(19-10)9-18-16-15(20-29-21-16)17(24)28-8-12-4-5-14(27-3)13(7-12)23(25)26/h4-7H,8-9H2,1-3H3,(H,18,21)
InChIKey JDAZLXLCEBJTRK-UHFFFAOYSA-N
Molecular Weight 402.367 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11756
Solvent DMSO-d6
Source Vendor ID: NMR/10271543; Lab Info: SAD; Lab Number: SAD-1472232