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benzoic acid, 4-(6-amino-5-cyano-1,4-dihydro-3-propylpyrano[2,3-c]pyrazol-4-yl)-, methyl ester
SpectraBase Compound ID KZlJavXp3wi
InChI InChI=1S/C18H18N4O3/c1-3-4-13-15-14(10-5-7-11(8-6-10)18(23)24-2)12(9-19)16(20)25-17(15)22-21-13/h5-8,14H,3-4,20H2,1-2H3,(H,21,22)
InChIKey IXGWYMNIBFIIOR-UHFFFAOYSA-N
Mol Weight 338.37 g/mol
Molecular Formula C18H18N4O3
Exact Mass 338.13789 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ji81VlGZora
Name benzoic acid, 4-(6-amino-5-cyano-1,4-dihydro-3-propylpyrano[2,3-c]pyrazol-4-yl)-, 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 338.137890453 u
Formula C18H18N4O3
InChI InChI=1S/C18H18N4O3/c1-3-4-13-15-14(10-5-7-11(8-6-10)18(23)24-2)12(9-19)16(20)25-17(15)22-21-13/h5-8,14H,3-4,20H2,1-2H3,(H,21,22)
InChIKey IXGWYMNIBFIIOR-UHFFFAOYSA-N
Molecular Weight 338.367 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5096
Solvent DMSO-d6
Source Vendor ID: NMR/9301892; Lab Info: VUR; Lab Number: VUR-0000645