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2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID DiKmrxiw5vv
InChI InChI=1S/C26H27N3O2/c1-17-8-10-18(11-9-17)16-31-23-13-12-19(14-24(23)30-2)25-20-6-4-3-5-7-22(20)29-26(28)21(25)15-27/h8-14H,3-7,16H2,1-2H3,(H2,28,29)
InChIKey IVHSKIZGUUENDU-UHFFFAOYSA-N
Mol Weight 413.52 g/mol
Molecular Formula C26H27N3O2
Exact Mass 413.210327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID glEQrgSKwc
Name 2-amino-4-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
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/C26H27N3O2/c1-17-8-10-18(11-9-17)16-31-23-13-12-19(14-24(23)30-2)25-20-6-4-3-5-7-22(20)29-26(28)21(25)15-27/h8-14H,3-7,16H2,1-2H3,(H2,28,29)
InChIKey IVHSKIZGUUENDU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18526
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: UZI/9124623; UBI_ID: UBI-018529
Temperature 313 °C