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N-(1-adamantyl)-N'-[5-(2,3-dichlorophenyl)-2-furoyl]thiourea
SpectraBase Compound ID IjQ1zWpeHKz
InChI InChI=1S/C22H22Cl2N2O2S/c23-16-3-1-2-15(19(16)24)17-4-5-18(28-17)20(27)25-21(29)26-22-9-12-6-13(10-22)8-14(7-12)11-22/h1-5,12-14H,6-11H2,(H2,25,26,27,29)/t12-,13+,14-,22-
InChIKey XEEZMLDPEFTTRY-MEFDUVCQSA-N
Mol Weight 449.4 g/mol
Molecular Formula C22H22Cl2N2O2S
Exact Mass 448.077905 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Li0TI89SnxU
Name N-(1-adamantyl)-N'-[5-(2,3-dichlorophenyl)-2-furoyl]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/C22H22Cl2N2O2S/c23-16-3-1-2-15(19(16)24)17-4-5-18(28-17)20(27)25-21(29)26-22-9-12-6-13(10-22)8-14(7-12)11-22/h1-5,12-14H,6-11H2,(H2,25,26,27,29)/t12-,13+,14-,22-
InChIKey XEEZMLDPEFTTRY-MEFDUVCQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30109
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: 1669028; SBI_ID: SBI-030113
Temperature 318 °C