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pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercapto-1-methyl-5-(trifluoromethyl)-
SpectraBase Compound ID JbkadENea9y
InChI InChI=1S/C17H12F3N3O3S/c1-23-14-13(15(24)22-16(23)27)9(17(18,19)20)7-10(21-14)8-2-3-11-12(6-8)26-5-4-25-11/h2-3,6-7H,4-5H2,1H3,(H,22,24,27)
InChIKey HKTGMRLVLLCAOI-UHFFFAOYSA-N
Mol Weight 395.36 g/mol
Molecular Formula C17H12F3N3O3S
Exact Mass 395.055147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6d8Qj1m3iZA
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-mercapto-1-methyl-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/C17H12F3N3O3S/c1-23-14-13(15(24)22-16(23)27)9(17(18,19)20)7-10(21-14)8-2-3-11-12(6-8)26-5-4-25-11/h2-3,6-7H,4-5H2,1H3,(H,22,24,27)
InChIKey HKTGMRLVLLCAOI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21799
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: 2136176; UZI_ID: UZI-021807
Temperature 308 °C