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2-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
SpectraBase Compound ID 38PjufT9mDm
InChI InChI=1S/C25H21ClN4O2/c1-15-10-16(6-8-21(15)26)31-12-17-7-9-22(32-17)23-19-5-3-2-4-18(19)20(11-27)24(30)25(23,13-28)14-29/h4,6-10,19,23H,2-3,5,12,30H2,1H3
InChIKey ORYQYQYJLQMDSX-UHFFFAOYSA-N
Mol Weight 444.92 g/mol
Molecular Formula C25H21ClN4O2
Exact Mass 444.135304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7vBkbOwHpAd
Name 2-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]-2-furyl}-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/C25H21ClN4O2/c1-15-10-16(6-8-21(15)26)31-12-17-7-9-22(32-17)23-19-5-3-2-4-18(19)20(11-27)24(30)25(23,13-28)14-29/h4,6-10,19,23H,2-3,5,12,30H2,1H3
InChIKey ORYQYQYJLQMDSX-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20881
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/9316001; UBI_ID: UBI-020885
Temperature 315 °C