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2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
SpectraBase Compound ID 3Z6ucWf8jWE
InChI InChI=1S/C26H20ClN5O3/c27-18-8-5-16(6-9-18)13-35-23-10-7-17(11-22(23)32(33)34)24-20-4-2-1-3-19(20)21(12-28)25(31)26(24,14-29)15-30/h3,5-11,20,24H,1-2,4,13,31H2
InChIKey XRHRIXOKQSCKNC-UHFFFAOYSA-N
Mol Weight 485.93 g/mol
Molecular Formula C26H20ClN5O3
Exact Mass 485.125467 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7qBQuFtdJin
Name 2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
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/C26H20ClN5O3/c27-18-8-5-16(6-9-18)13-35-23-10-7-17(11-22(23)32(33)34)24-20-4-2-1-3-19(20)21(12-28)25(31)26(24,14-29)15-30/h3,5-11,20,24H,1-2,4,13,31H2
InChIKey XRHRIXOKQSCKNC-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18536
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/9124747; UBI_ID: UBI-018539
Temperature 313 °C