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N-{5-[2-((2E)-2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
SpectraBase Compound ID 9yQr18KLs0s
InChI InChI=1S/C27H23ClFN5O4S/c1-16-7-3-5-9-19(16)26(36)31-27-34-33-24(39-27)13-23(35)32-30-14-17-11-20(28)25(22(12-17)37-2)38-15-18-8-4-6-10-21(18)29/h3-12,14H,13,15H2,1-2H3,(H,32,35)(H,31,34,36)/b30-14+
InChIKey XMNIJYHOGZRWGE-AMVVHIIESA-N
Mol Weight 568.02 g/mol
Molecular Formula C27H23ClFN5O4S
Exact Mass 567.114331 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LPRUQTA42zQ
Name N-{5-[2-((2E)-2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
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/C27H23ClFN5O4S/c1-16-7-3-5-9-19(16)26(36)31-27-34-33-24(39-27)13-23(35)32-30-14-17-11-20(28)25(22(12-17)37-2)38-15-18-8-4-6-10-21(18)29/h3-12,14H,13,15H2,1-2H3,(H,32,35)(H,31,34,36)/b30-14+
InChIKey XMNIJYHOGZRWGE-AMVVHIIESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7550
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: 127364; Labnumber: CEP2K-04153; VK_ID: VK-007554
Synonyms N-{5-[2-(2-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-2-methylbenzamide
Temperature 315 °C