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N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-(2-chloro-4-fluorobenzoyl)thiourea
SpectraBase Compound ID D7z28wTazep
InChI InChI=1S/C21H13ClFN3O3S/c22-15-9-11(23)5-7-13(15)19(28)26-21(30)24-12-6-8-17(27)14(10-12)20-25-16-3-1-2-4-18(16)29-20/h1-10,27H,(H2,24,26,28,30)
InChIKey PHLQBKBVJCHPBU-UHFFFAOYSA-N
Mol Weight 441.86 g/mol
Molecular Formula C21H13ClFN3O3S
Exact Mass 441.035018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 68z57dLPuK0
Name N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-(2-chloro-4-fluorobenzoyl)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/C21H13ClFN3O3S/c22-15-9-11(23)5-7-13(15)19(28)26-21(30)24-12-6-8-17(27)14(10-12)20-25-16-3-1-2-4-18(16)29-20/h1-10,27H,(H2,24,26,28,30)
InChIKey PHLQBKBVJCHPBU-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18518
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: D32847; Labnumber: SPMOS1-37097; SBI_ID: SBI-018521
Temperature 306 °C