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2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 2M07zyADnBK
InChI InChI=1S/C25H24ClN3O2/c1-30-23-13-16(11-12-22(23)31-15-17-7-5-6-9-20(17)26)24-18-8-3-2-4-10-21(18)29-25(28)19(24)14-27/h5-7,9,11-13H,2-4,8,10,15H2,1H3,(H2,28,29)
InChIKey YHADIUJZQJFSPK-UHFFFAOYSA-N
Mol Weight 433.94 g/mol
Molecular Formula C25H24ClN3O2
Exact Mass 433.155705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ApCR9QS2JoK
Name 2-amino-4-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-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/C25H24ClN3O2/c1-30-23-13-16(11-12-22(23)31-15-17-7-5-6-9-20(17)26)24-18-8-3-2-4-10-21(18)29-25(28)19(24)14-27/h5-7,9,11-13H,2-4,8,10,15H2,1H3,(H2,28,29)
InChIKey YHADIUJZQJFSPK-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12460
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/9122199; UBI_ID: UBI-012463
Temperature 313 °C