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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-1-ethyl-2-mercapto-5-(trifluoromethyl)-
SpectraBase Compound ID LZgKjMoaQYH
InChI InChI=1S/C17H12F5N3O2S/c1-2-25-13-12(14(26)24-16(25)28)10(17(20,21)22)7-11(23-13)8-4-3-5-9(6-8)27-15(18)19/h3-7,15H,2H2,1H3,(H,24,26,28)
InChIKey BPTVWULWWGZOJC-UHFFFAOYSA-N
Mol Weight 417.35 g/mol
Molecular Formula C17H12F5N3O2S
Exact Mass 417.057039 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LweK6RV0K6E
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-[3-(difluoromethoxy)phenyl]-1-ethyl-2-mercapto-5-(trifluoromethyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H12F5N3O2S/c1-2-25-13-12(14(26)24-16(25)28)10(17(20,21)22)7-11(23-13)8-4-3-5-9(6-8)27-15(18)19/h3-7,15H,2H2,1H3,(H,24,26,28)
InChIKey BPTVWULWWGZOJC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21887
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 2175366; UZI_ID: UZI-021895
Temperature 308 °C