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N-[(2E)-3-(2,4-dichlorophenyl)-2-propenoyl]-N'-[4-(4-morpholinylmethyl)phenyl]thiourea
SpectraBase Compound ID 1cdA36ujd1J
InChI InChI=1S/C21H21Cl2N3O2S/c22-17-5-3-16(19(23)13-17)4-8-20(27)25-21(29)24-18-6-1-15(2-7-18)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H2,24,25,27,29)/b8-4+
InChIKey VRUPBUVZLPMGLT-XBXARRHUSA-N
Mol Weight 450.38 g/mol
Molecular Formula C21H21Cl2N3O2S
Exact Mass 449.073154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHfsMXT3MBa
Name N-[(2E)-3-(2,4-dichlorophenyl)-2-propenoyl]-N'-[4-(4-morpholinylmethyl)phenyl]thiourea
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/C21H21Cl2N3O2S/c22-17-5-3-16(19(23)13-17)4-8-20(27)25-21(29)24-18-6-1-15(2-7-18)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14H2,(H2,24,25,27,29)/b8-4+
InChIKey VRUPBUVZLPMGLT-XBXARRHUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5546
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: D22940; Labnumber: SPMOS1-27558; SBI_ID: SBI-005548
Synonyms N-[3-(2,4-dichlorophenyl)-2-propenoyl]-N'-[4-(4-morpholinylmethyl)phenyl]thiourea
Temperature 318 °C