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4-bromo-3,5-dimethyl-1-{4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoyl}-1H-pyrazole
SpectraBase Compound ID 16Gj7Z8QGoh
InChI InChI=1S/C19H16BrN3O3S/c1-11-4-7-15(8-5-11)27-17-9-6-14(10-16(17)23(25)26)19(24)22-13(3)18(20)12(2)21-22/h4-10H,1-3H3
InChIKey AJQWHKQXNROVGN-UHFFFAOYSA-N
Mol Weight 446.32 g/mol
Molecular Formula C19H16BrN3O3S
Exact Mass 445.009576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ls2J1J9IW4a
Name 4-bromo-3,5-dimethyl-1-{4-[(4-methylphenyl)sulfanyl]-3-nitrobenzoyl}-1H-pyrazole
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/C19H16BrN3O3S/c1-11-4-7-15(8-5-11)27-17-9-6-14(10-16(17)23(25)26)19(24)22-13(3)18(20)12(2)21-22/h4-10H,1-3H3
InChIKey AJQWHKQXNROVGN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12723
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/9124901; UBI_ID: UBI-012726
Synonyms 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-nitrophenyl 4-methylphenyl sulfide
Temperature 308 °C