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N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-N'-(4-nitrobenzoyl)thiourea
SpectraBase Compound ID 5Nqd71bBode
InChI InChI=1S/C22H16N4O5S/c1-30-18-11-8-14(21-23-16-4-2-3-5-19(16)31-21)12-17(18)24-22(32)25-20(27)13-6-9-15(10-7-13)26(28)29/h2-12H,1H3,(H2,24,25,27,32)
InChIKey RIUOYAHCZWZXBM-UHFFFAOYSA-N
Mol Weight 448.45 g/mol
Molecular Formula C22H16N4O5S
Exact Mass 448.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IwsPWD9D065
Name N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-N'-(4-nitrobenzoyl)thiourea
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.084140800 u
Formula C22H16N4O5S
InChI InChI=1S/C22H16N4O5S/c1-30-18-11-8-14(21-23-16-4-2-3-5-19(16)31-21)12-17(18)24-22(32)25-20(27)13-6-9-15(10-7-13)26(28)29/h2-12H,1H3,(H2,24,25,27,32)
InChIKey RIUOYAHCZWZXBM-UHFFFAOYSA-N
Molecular Weight 448.453 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_972
Solvent DMSO-d6
Source Vendor ID: NMR/12269032