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N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-N'-hexanoylthiourea
SpectraBase Compound ID D5QcvZi7c3G
InChI InChI=1S/C20H19Cl2N3O2S/c1-2-3-4-5-18(26)25-20(28)23-13-7-9-17-16(11-13)24-19(27-17)14-10-12(21)6-8-15(14)22/h6-11H,2-5H2,1H3,(H2,23,25,26,28)
InChIKey UBQZWVIVRGJKBU-UHFFFAOYSA-N
Mol Weight 436.36 g/mol
Molecular Formula C20H19Cl2N3O2S
Exact Mass 435.057503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dv64B1CGXap
Name N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-N'-hexanoylthiourea
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/C20H19Cl2N3O2S/c1-2-3-4-5-18(26)25-20(28)23-13-7-9-17-16(11-13)24-19(27-17)14-10-12(21)6-8-15(14)22/h6-11H,2-5H2,1H3,(H2,23,25,26,28)
InChIKey UBQZWVIVRGJKBU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2596
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: D03730; Labnumber: SPMOS1-22554; SBI_ID: SBI-002598
Temperature 308 °C