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2-amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID LDxSpaGjvE2
InChI InChI=1S/C25H22BrClN2O3/c1-25(2)10-19(30)23-21(11-25)32-24(29)18(12-28)22(23)17-9-15(26)5-8-20(17)31-13-14-3-6-16(27)7-4-14/h3-9,22H,10-11,13,29H2,1-2H3
InChIKey VFBOSPYJNTYQJM-UHFFFAOYSA-N
Mol Weight 513.82 g/mol
Molecular Formula C25H22BrClN2O3
Exact Mass 512.050233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KqxM4Mm8u1X
Name 2-amino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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/C25H22BrClN2O3/c1-25(2)10-19(30)23-21(11-25)32-24(29)18(12-28)22(23)17-9-15(26)5-8-20(17)31-13-14-3-6-16(27)7-4-14/h3-9,22H,10-11,13,29H2,1-2H3
InChIKey VFBOSPYJNTYQJM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18297
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/1029441; Labnumber: TSI4102; UZI_ID: UZI-018304
Temperature 318 °C