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6-(1-adamantyl)-3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID Ip6w8Yj5VoE
InChI InChI=1S/C21H25F2N3/c1-26-20-17(18(25-26)14-2-3-14)15(19(22)23)7-16(24-20)21-8-11-4-12(9-21)6-13(5-11)10-21/h7,11-14,19H,2-6,8-10H2,1H3/t11-,12+,13-,21-
InChIKey JGJVBSNBDONXFD-VKTBNBLDSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H25F2N3
Exact Mass 357.201654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HiXLkqovvVO
Name 6-(1-adamantyl)-3-cyclopropyl-4-(difluoromethyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine
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/C21H25F2N3/c1-26-20-17(18(25-26)14-2-3-14)15(19(22)23)7-16(24-20)21-8-11-4-12(9-21)6-13(5-11)10-21/h7,11-14,19H,2-6,8-10H2,1H3/t11-,12+,13-,21-
InChIKey JGJVBSNBDONXFD-VKTBNBLDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31812
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: 1843389; SBI_ID: SBI-031816
Temperature 318 °C