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pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydro-

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pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydro-
SpectraBase Compound ID 4iXZSBS4ImB
InChI InChI=1S/C21H15ClN4O5/c1-28-15-6-10(4-12(22)19(15)27)16-11(7-23)20(24)31-21-17(16)18(25-26-21)9-2-3-13-14(5-9)30-8-29-13/h2-6,16,27H,8,24H2,1H3,(H,25,26)
InChIKey XZWGVQTUINJISY-UHFFFAOYSA-N
Mol Weight 438.83 g/mol
Molecular Formula C21H15ClN4O5
Exact Mass 438.073097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5QjgfllWPUc
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,4-dihydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.073097294 u
Formula C21H15ClN4O5
InChI InChI=1S/C21H15ClN4O5/c1-28-15-6-10(4-12(22)19(15)27)16-11(7-23)20(24)31-21-17(16)18(25-26-21)9-2-3-13-14(5-9)30-8-29-13/h2-6,16,27H,8,24H2,1H3,(H,25,26)
InChIKey XZWGVQTUINJISY-UHFFFAOYSA-N
Molecular Weight 438.827 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11409
Solvent DMSO-d6
Source Vendor ID: ZI/10037478; Lab Info: VUR; Lab Number: VUR-0001152