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ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2-phenyl-4H-pyran-3-carboxylate
SpectraBase Compound ID 2FGJtgJzHp3
InChI InChI=1S/C28H25N3O4S/c1-3-34-28(32)25-24(21(16-29)27(30)35-26(25)18-9-5-4-6-10-18)19-12-13-22(33-2)20(15-19)17-36-23-11-7-8-14-31-23/h4-15,24H,3,17,30H2,1-2H3
InChIKey GSVAEERRPYJIHZ-UHFFFAOYSA-N
Mol Weight 499.59 g/mol
Molecular Formula C28H25N3O4S
Exact Mass 499.156577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 781hIHE2gLp
Name ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2-phenyl-4H-pyran-3-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.156577467 u
Formula C28H25N3O4S
InChI InChI=1S/C28H25N3O4S/c1-3-34-28(32)25-24(21(16-29)27(30)35-26(25)18-9-5-4-6-10-18)19-12-13-22(33-2)20(15-19)17-36-23-11-7-8-14-31-23/h4-15,24H,3,17,30H2,1-2H3
InChIKey GSVAEERRPYJIHZ-UHFFFAOYSA-N
Molecular Weight 499.585 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3548
Solvent DMSO-d6
Source Vendor ID: NMR/12289737