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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-1-(2-methoxyphenyl)-7-tricyclo[3.3.1.1~3,7~]dec-1-yl-
SpectraBase Compound ID 3AR83Yijw0a
InChI InChI=1S/C25H25F2N3O2S/c1-32-18-5-3-2-4-17(18)30-22-20(23(31)29-24(30)33)16(21(26)27)9-19(28-22)25-10-13-6-14(11-25)8-15(7-13)12-25/h2-5,9,13-15,21H,6-8,10-12H2,1H3,(H,29,31,33)/t13-,14+,15-,25-
InChIKey IODBHCLSMFAOFT-VMBPLHFVSA-N
Mol Weight 469.55 g/mol
Molecular Formula C25H25F2N3O2S
Exact Mass 469.163555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9CnjjpbXgjv
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-1-(2-methoxyphenyl)-7-tricyclo[3.3.1.1~3,7~]dec-1-yl-
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/C25H25F2N3O2S/c1-32-18-5-3-2-4-17(18)30-22-20(23(31)29-24(30)33)16(21(26)27)9-19(28-22)25-10-13-6-14(11-25)8-15(7-13)12-25/h2-5,9,13-15,21H,6-8,10-12H2,1H3,(H,29,31,33)/t13-,14+,15-,25-
InChIKey IODBHCLSMFAOFT-VMBPLHFVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23339
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: 2278584; UZI_ID: UZI-023347
Temperature 308 °C