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2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 48FR7uokoEt
InChI InChI=1S/C28H25BrN4O2/c1-28(2)12-22(34)25-23(13-28)35-27(31)20(14-30)24(25)21-16-33(15-17-8-10-19(29)11-9-17)32-26(21)18-6-4-3-5-7-18/h3-11,16,24H,12-13,15,31H2,1-2H3
InChIKey OOIJPYOYNODUKQ-UHFFFAOYSA-N
Mol Weight 529.44 g/mol
Molecular Formula C28H25BrN4O2
Exact Mass 528.116089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 32I9gtwz27s
Name 2-amino-4-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-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/C28H25BrN4O2/c1-28(2)12-22(34)25-23(13-28)35-27(31)20(14-30)24(25)21-16-33(15-17-8-10-19(29)11-9-17)32-26(21)18-6-4-3-5-7-18/h3-11,16,24H,12-13,15,31H2,1-2H3
InChIKey OOIJPYOYNODUKQ-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1384
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: 9311429; UBI_ID: UBI-001385
Temperature 308 °C