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3-[(2-chlorophenoxy)methyl]-4-ethoxybenzaldehyde N-allylthiosemicarbazone
SpectraBase Compound ID FxAbGlXS0Z
InChI InChI=1S/C20H22ClN3O2S/c1-3-11-22-20(27)24-23-13-15-9-10-18(25-4-2)16(12-15)14-26-19-8-6-5-7-17(19)21/h3,5-10,12-13H,1,4,11,14H2,2H3,(H2,22,24,27)/b23-13+
InChIKey KQJXDTYKBKAPJW-YDZHTSKRSA-N
Mol Weight 403.93 g/mol
Molecular Formula C20H22ClN3O2S
Exact Mass 403.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LgC35nwyzRd
Name 3-[(2-chlorophenoxy)methyl]-4-ethoxybenzaldehyde N-allylthiosemicarbazone
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/C20H22ClN3O2S/c1-3-11-22-20(27)24-23-13-15-9-10-18(25-4-2)16(12-15)14-26-19-8-6-5-7-17(19)21/h3,5-10,12-13H,1,4,11,14H2,2H3,(H2,22,24,27)/b23-13+
InChIKey KQJXDTYKBKAPJW-YDZHTSKRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26692
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: D63836; Labnumber: KHAN-0621; SBI_ID: SBI-026696
Temperature 315 °C