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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-p-phenetyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 5riOVY6Ulvm
InChI InChI=1S/C28H22ClFN4O3/c1-2-35-18-12-8-17(9-13-18)26-25-24(20(14-31)27(32)37-28(25)34-33-26)16-6-10-19(11-7-16)36-15-21-22(29)4-3-5-23(21)30/h3-13,24H,2,15,32H2,1H3,(H,33,34)
InChIKey KVVOFBZOTPSCHO-UHFFFAOYSA-N
Mol Weight 516.96 g/mol
Molecular Formula C28H22ClFN4O3
Exact Mass 516.136446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LpYu2BxxmJ9
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-ethoxyphenyl)-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 516.136446444 u
Formula C28H22ClFN4O3
InChI InChI=1S/C28H22ClFN4O3/c1-2-35-18-12-8-17(9-13-18)26-25-24(20(14-31)27(32)37-28(25)34-33-26)16-6-10-19(11-7-16)36-15-21-22(29)4-3-5-23(21)30/h3-13,24H,2,15,32H2,1H3,(H,33,34)
InChIKey KVVOFBZOTPSCHO-UHFFFAOYSA-N
Molecular Weight 516.960 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14122
Solvent DMSO-d6
Source Vendor ID: NMR/10310458; Lab Info: VUR; Lab Number: VUR-0002274