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1H-pyrazolo[3,4-b]pyridine, 1-(3,4-dimethylphenyl)-5-[3-(hexahydro-1H-azepin-1-yl)-3-oxopropyl]-3,4,6-trimethyl-
SpectraBase Compound ID 5i2ProOrkVh
InChI InChI=1S/C26H34N4O/c1-17-10-11-22(16-18(17)2)30-26-25(21(5)28-30)19(3)23(20(4)27-26)12-13-24(31)29-14-8-6-7-9-15-29/h10-11,16H,6-9,12-15H2,1-5H3
InChIKey KCUABPPRVHSROW-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H34N4O
Exact Mass 418.273262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3l4ZdqICpQt
Name 1H-pyrazolo[3,4-b]pyridine, 1-(3,4-dimethylphenyl)-5-[3-(hexahydro-1H-azepin-1-yl)-3-oxopropyl]-3,4,6-trimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.273261730 u
Formula C26H34N4O
InChI InChI=1S/C26H34N4O/c1-17-10-11-22(16-18(17)2)30-26-25(21(5)28-30)19(3)23(20(4)27-26)12-13-24(31)29-14-8-6-7-9-15-29/h10-11,16H,6-9,12-15H2,1-5H3
InChIKey KCUABPPRVHSROW-UHFFFAOYSA-N
Molecular Weight 418.585 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6814
Solvent DMSO-d6
Source Vendor ID: NMR/12718200