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N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-(4-sec-butoxybenzoyl)thiourea
SpectraBase Compound ID 2kPatmSQq5d
InChI InChI=1S/C22H22BrN3O3S2/c1-4-13(2)29-16-8-5-14(6-9-16)20(27)25-21(30)26-22-24-18(12-31-22)15-7-10-19(28-3)17(23)11-15/h5-13H,4H2,1-3H3,(H2,24,25,26,27,30)
InChIKey AMGXGXSRMPEXMI-UHFFFAOYSA-N
Mol Weight 520.46 g/mol
Molecular Formula C22H22BrN3O3S2
Exact Mass 519.028597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LTui1RwGZUU
Name N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-N'-(4-sec-butoxybenzoyl)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/C22H22BrN3O3S2/c1-4-13(2)29-16-8-5-14(6-9-16)20(27)25-21(30)26-22-24-18(12-31-22)15-7-10-19(28-3)17(23)11-15/h5-13H,4H2,1-3H3,(H2,24,25,26,27,30)
InChIKey AMGXGXSRMPEXMI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14045
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: D93924; Labnumber: SPMOS1-26533; SBI_ID: SBI-014048
Temperature 318 °C