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N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxamide
SpectraBase Compound ID 7ZokpLJow0p
InChI InChI=1S/C25H25N3O4/c1-12-4-18(24(29)27-22-16-6-13-5-14(8-16)9-17(22)7-13)21-23(28-32-25(21)26-12)15-2-3-19-20(10-15)31-11-30-19/h2-4,10,13-14,16-17,22H,5-9,11H2,1H3,(H,27,29)/t13-,14+,16-,17+,22?
InChIKey JBRYCHYLPKTJPB-BKMSBZBISA-N
Mol Weight 431.49 g/mol
Molecular Formula C25H25N3O4
Exact Mass 431.184506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RiTi9n1d7M
Name N-(2-adamantyl)-3-(1,3-benzodioxol-5-yl)-6-methylisoxazolo[5,4-b]pyridine-4-carboxamide
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/C25H25N3O4/c1-12-4-18(24(29)27-22-16-6-13-5-14(8-16)9-17(22)7-13)21-23(28-32-25(21)26-12)15-2-3-19-20(10-15)31-11-30-19/h2-4,10,13-14,16-17,22H,5-9,11H2,1H3,(H,27,29)/t13-,14+,16-,17+,22?
InChIKey JBRYCHYLPKTJPB-BKMSBZBISA-N
NMR Offset 17.9113
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33817
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: 1996590; SBI_ID: SBI-033821
Temperature 303 °C