For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-iodo-6-methoxy-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate

View entire compound with spectra: 1 NMR

2-iodo-6-methoxy-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate
SpectraBase Compound ID ABV07Ki9Jwv
InChI InChI=1S/C21H16F3IN2O4/c1-11-16(7-13-8-17(25)19(31-12(2)28)18(9-13)30-3)20(29)27(26-11)15-6-4-5-14(10-15)21(22,23)24/h4-10H,1-3H3/b16-7-
InChIKey XLTWWUZDYDUHSW-APSNUPSMSA-N
Mol Weight 544.27 g/mol
Molecular Formula C21H16F3IN2O4
Exact Mass 544.010686 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 11WBQWfQG83
Name 2-iodo-6-methoxy-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)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/C21H16F3IN2O4/c1-11-16(7-13-8-17(25)19(31-12(2)28)18(9-13)30-3)20(29)27(26-11)15-6-4-5-14(10-15)21(22,23)24/h4-10H,1-3H3/b16-7-
InChIKey XLTWWUZDYDUHSW-APSNUPSMSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16811
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/8183942; UBI_ID: UBI-016814
Synonyms 2-iodo-6-methoxy-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenyl acetate
Temperature 308 °C