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N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-N'-(4-isopropylbenzoyl)thiourea
SpectraBase Compound ID HcsWpddLIHf
InChI InChI=1S/C25H23N3O3S/c1-15(2)16-8-10-17(11-9-16)23(29)28-25(32)27-20-14-18(12-13-21(20)30-3)24-26-19-6-4-5-7-22(19)31-24/h4-15H,1-3H3,(H2,27,28,29,32)
InChIKey SMMPVMBCASVRPN-UHFFFAOYSA-N
Mol Weight 445.54 g/mol
Molecular Formula C25H23N3O3S
Exact Mass 445.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xccM8VwFTC
Name N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-N'-(4-isopropylbenzoyl)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 445.146012784 u
Formula C25H23N3O3S
InChI InChI=1S/C25H23N3O3S/c1-15(2)16-8-10-17(11-9-16)23(29)28-25(32)27-20-14-18(12-13-21(20)30-3)24-26-19-6-4-5-7-22(19)31-24/h4-15H,1-3H3,(H2,27,28,29,32)
InChIKey SMMPVMBCASVRPN-UHFFFAOYSA-N
Molecular Weight 445.537 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_996
Solvent DMSO-d6
Source Vendor ID: NMR/12269058