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4-morpholinecarboxylic acid, 4-[6-amino-5-cyano-1,4-dihydro-3-(4-methoxyphenyl)pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl ester
SpectraBase Compound ID H6wyuXtuPVu
InChI InChI=1S/C27H26BrN5O6/c1-3-37-20-13-16(12-19(28)24(20)38-27(34)33-8-10-36-11-9-33)21-18(14-29)25(30)39-26-22(21)23(31-32-26)15-4-6-17(35-2)7-5-15/h4-7,12-13,21H,3,8-11,30H2,1-2H3,(H,31,32)
InChIKey BRXTWJIAWTYNRS-UHFFFAOYSA-N
Mol Weight 596.44 g/mol
Molecular Formula C27H26BrN5O6
Exact Mass 595.106647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D3yygrMc7xC
Name 4-morpholinecarboxylic acid, 4-[6-amino-5-cyano-1,4-dihydro-3-(4-methoxyphenyl)pyrano[2,3-c]pyrazol-4-yl]-2-bromo-6-ethoxyphenyl 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 595.106646571 u
Formula C27H26BrN5O6
InChI InChI=1S/C27H26BrN5O6/c1-3-37-20-13-16(12-19(28)24(20)38-27(34)33-8-10-36-11-9-33)21-18(14-29)25(30)39-26-22(21)23(31-32-26)15-4-6-17(35-2)7-5-15/h4-7,12-13,21H,3,8-11,30H2,1-2H3,(H,31,32)
InChIKey BRXTWJIAWTYNRS-UHFFFAOYSA-N
Molecular Weight 596.438 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11415
Solvent DMSO-d6
Source Vendor ID: ZI/10038144; Lab Info: VUR; Lab Number: VUR-0001142