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2-bromo-6-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl acetate
SpectraBase Compound ID 7CTcxq58jC1
InChI InChI=1S/C20H17BrN2O4/c1-12-16(20(25)23(22-12)15-7-5-4-6-8-15)9-14-10-17(21)19(27-13(2)24)18(11-14)26-3/h4-11H,1-3H3/b16-9-
InChIKey SZCXHXXYFUNKMH-SXGWCWSVSA-N
Mol Weight 429.27 g/mol
Molecular Formula C20H17BrN2O4
Exact Mass 428.03717 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JS4fyh76paa
Name 2-bromo-6-methoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl acetate
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/C20H17BrN2O4/c1-12-16(20(25)23(22-12)15-7-5-4-6-8-15)9-14-10-17(21)19(27-13(2)24)18(11-14)26-3/h4-11H,1-3H3/b16-9-
InChIKey SZCXHXXYFUNKMH-SXGWCWSVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17337
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/9051494; UBI_ID: UBI-017340
Synonyms 2-bromo-6-methoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl acetate
Temperature 308 °C