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1-(4-methylphenyl)-3-{[4-(4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}thiourea
SpectraBase Compound ID LlLhQMW5hVz
InChI InChI=1S/C24H23N3O3S/c1-14-3-7-16(8-4-14)26-23(31)25-13-24-12-11-18(30-24)19-20(24)22(29)27(21(19)28)17-9-5-15(2)6-10-17/h3-12,18-20H,13H2,1-2H3,(H2,25,26,31)/t18-,19-,20+,24-/m0/s1
InChIKey UAKHLGWRPMSYGS-KTIHBUSBSA-N
Mol Weight 433.53 g/mol
Molecular Formula C24H23N3O3S
Exact Mass 433.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLJOHWivTgk
Name 1-(4-methylphenyl)-3-{[4-(4-methylphenyl)-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-1-yl]methyl}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 433.146012784 u
Formula C24H23N3O3S
InChI InChI=1S/C24H23N3O3S/c1-14-3-7-16(8-4-14)26-23(31)25-13-24-12-11-18(30-24)19-20(24)22(29)27(21(19)28)17-9-5-15(2)6-10-17/h3-12,18-20H,13H2,1-2H3,(H2,25,26,31)/t18-,19-,20+,24-/m0/s1
InChIKey UAKHLGWRPMSYGS-KTIHBUSBSA-N
Molecular Weight 433.526 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8414
Solvent DMSO-d6
Source Vendor ID: NMR/13219576