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pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-1-(2-methoxyethyl)-7-tricyclo[3.3.1.1~3,7~]dec-1-yl-
SpectraBase Compound ID 8CeSXjhkwlM
InChI InChI=1S/C21H25F2N3O2S/c1-28-3-2-26-18-16(19(27)25-20(26)29)14(17(22)23)7-15(24-18)21-8-11-4-12(9-21)6-13(5-11)10-21/h7,11-13,17H,2-6,8-10H2,1H3,(H,25,27,29)
InChIKey QNOSVIXIZWEAPE-UHFFFAOYSA-N
Mol Weight 421.51 g/mol
Molecular Formula C21H25F2N3O2S
Exact Mass 421.163555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tbyUmvuHgD
Name pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-2-mercapto-1-(2-methoxyethyl)-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/C21H25F2N3O2S/c1-28-3-2-26-18-16(19(27)25-20(26)29)14(17(22)23)7-15(24-18)21-8-11-4-12(9-21)6-13(5-11)10-21/h7,11-13,17H,2-6,8-10H2,1H3,(H,25,27,29)
InChIKey QNOSVIXIZWEAPE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23668
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: 2283658; UZI_ID: UZI-023676
Temperature 308 °C