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4H-pyran-2-acetic acid, 6-amino-5-cyano-3-(methoxycarbonyl)-4-[4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-, methyl ester

View entire compound with spectra: 1 NMR

4H-pyran-2-acetic acid, 6-amino-5-cyano-3-(methoxycarbonyl)-4-[4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-, methyl ester
SpectraBase Compound ID CrCWZgc4elI
InChI InChI=1S/C22H21N5O8/c1-32-16-5-4-12(6-13(16)10-26-11-14(9-25-26)27(30)31)19-15(8-23)21(24)35-17(7-18(28)33-2)20(19)22(29)34-3/h4-6,9,11,19H,7,10,24H2,1-3H3
InChIKey NCGMEKLRNFGWTP-UHFFFAOYSA-N
Mol Weight 483.44 g/mol
Molecular Formula C22H21N5O8
Exact Mass 483.139013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FoY44rK85qy
Name 4H-pyran-2-acetic acid, 6-amino-5-cyano-3-(methoxycarbonyl)-4-[4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl]-, 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 483.139012648 u
Formula C22H21N5O8
InChI InChI=1S/C22H21N5O8/c1-32-16-5-4-12(6-13(16)10-26-11-14(9-25-26)27(30)31)19-15(8-23)21(24)35-17(7-18(28)33-2)20(19)22(29)34-3/h4-6,9,11,19H,7,10,24H2,1-3H3
InChIKey NCGMEKLRNFGWTP-UHFFFAOYSA-N
Molecular Weight 483.437 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2152
Solvent DMSO-d6
Source Vendor ID: NMR/13268360