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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 8qUG5u7HoYZ
InChI InChI=1S/C29H24ClFN4O4/c1-3-37-23-12-9-17(13-24(23)36-2)27-26-25(19(14-32)28(33)39-29(26)35-34-27)16-7-10-18(11-8-16)38-15-20-21(30)5-4-6-22(20)31/h4-13,25H,3,15,33H2,1-2H3,(H,34,35)
InChIKey SKXQTCKEGWTBHN-UHFFFAOYSA-N
Mol Weight 546.99 g/mol
Molecular Formula C29H24ClFN4O4
Exact Mass 546.147011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7wwVoWE0pRp
Name pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-ethoxy-3-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 546.147011128 u
Formula C29H24ClFN4O4
InChI InChI=1S/C29H24ClFN4O4/c1-3-37-23-12-9-17(13-24(23)36-2)27-26-25(19(14-32)28(33)39-29(26)35-34-27)16-7-10-18(11-8-16)38-15-20-21(30)5-4-6-22(20)31/h4-13,25H,3,15,33H2,1-2H3,(H,34,35)
InChIKey SKXQTCKEGWTBHN-UHFFFAOYSA-N
Molecular Weight 546.986 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14161
Solvent DMSO-d6
Source Vendor ID: NMR/10310465; Lab Info: VUR; Lab Number: VUR-0002282