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ethyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]amino}benzoate
SpectraBase Compound ID 1W6Aa2SSIfS
InChI InChI=1S/C27H27N3O3/c1-4-33-27(32)21-15-17-22(18-16-21)28-25(20-11-7-5-8-12-20)24-19(2)29(3)30(26(24)31)23-13-9-6-10-14-23/h5-18,25,28H,4H2,1-3H3
InChIKey XQAMWVABHLSOCJ-UHFFFAOYSA-N
Mol Weight 441.53 g/mol
Molecular Formula C27H27N3O3
Exact Mass 441.205242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9r6bv0tqFnt
Name ethyl 4-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(phenyl)methyl]amino}benzoate
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/C27H27N3O3/c1-4-33-27(32)21-15-17-22(18-16-21)28-25(20-11-7-5-8-12-20)24-19(2)29(3)30(26(24)31)23-13-9-6-10-14-23/h5-18,25,28H,4H2,1-3H3
InChIKey XQAMWVABHLSOCJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9245
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: N13836; Labnumber: RB3-229; VK_ID: VK-009249
Temperature 318 °C