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pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(3-methoxypropyl)-7-methyl-5-(trifluoromethyl)-
SpectraBase Compound ID ByI6Ztdm696
InChI InChI=1S/C13H14F3N3O2S/c1-7-6-8(13(14,15)16)9-10(17-7)19(4-3-5-21-2)12(22)18-11(9)20/h6H,3-5H2,1-2H3,(H,18,20,22)
InChIKey GMKZKHVTBBFWKU-UHFFFAOYSA-N
Mol Weight 333.33 g/mol
Molecular Formula C13H14F3N3O2S
Exact Mass 333.075882 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GVrfxh2MR2V
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 2-mercapto-1-(3-methoxypropyl)-7-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/C13H14F3N3O2S/c1-7-6-8(13(14,15)16)9-10(17-7)19(4-3-5-21-2)12(22)18-11(9)20/h6H,3-5H2,1-2H3,(H,18,20,22)
InChIKey GMKZKHVTBBFWKU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21819
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: 2145950; UZI_ID: UZI-021827
Temperature 308 °C