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2-amino-4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 2tTFAFtNEaL
InChI InChI=1S/C26H25BrN2O4/c1-26(2)11-19(30)24-22(12-26)33-25(29)17(13-28)23(24)15-8-9-20(31-3)16(10-15)14-32-21-7-5-4-6-18(21)27/h4-10,23H,11-12,14,29H2,1-3H3
InChIKey VDERABQVYWNHCH-UHFFFAOYSA-N
Mol Weight 509.4 g/mol
Molecular Formula C26H25BrN2O4
Exact Mass 508.09977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AoRtxfSpqTx
Name 2-amino-4-{3-[(2-bromophenoxy)methyl]-4-methoxyphenyl}-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/C26H25BrN2O4/c1-26(2)11-19(30)24-22(12-26)33-25(29)17(13-28)23(24)15-8-9-20(31-3)16(10-15)14-32-21-7-5-4-6-18(21)27/h4-10,23H,11-12,14,29H2,1-3H3
InChIKey VDERABQVYWNHCH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1124
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: 9310662; UBI_ID: UBI-001125
Temperature 308 °C