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4-[(1E)-2-cyano-3-(3,5-dichloroanilino)-3-oxo-1-propenyl]phenyl 4-nitrobenzenesulfonate
SpectraBase Compound ID 14ndRd18m8i
InChI InChI=1S/C22H13Cl2N3O6S/c23-16-10-17(24)12-18(11-16)26-22(28)15(13-25)9-14-1-5-20(6-2-14)33-34(31,32)21-7-3-19(4-8-21)27(29)30/h1-12H,(H,26,28)/b15-9+
InChIKey ICVGOSVZUNSXED-OQLLNIDSSA-N
Mol Weight 518.33 g/mol
Molecular Formula C22H13Cl2N3O6S
Exact Mass 516.990212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vcpheQ7rEd
Name 4-[(1E)-2-cyano-3-(3,5-dichloroanilino)-3-oxo-1-propenyl]phenyl 4-nitrobenzenesulfonate
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/C22H13Cl2N3O6S/c23-16-10-17(24)12-18(11-16)26-22(28)15(13-25)9-14-1-5-20(6-2-14)33-34(31,32)21-7-3-19(4-8-21)27(29)30/h1-12H,(H,26,28)/b15-9+
InChIKey ICVGOSVZUNSXED-OQLLNIDSSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7869
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/1008955; UBI_ID: UBI-007872
Synonyms 4-[2-cyano-3-(3,5-dichloroanilino)-3-oxo-1-propenyl]phenyl 4-nitrobenzenesulfonate
Temperature 308 °C