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thiourea, N-(3-chloro-4-methoxybenzoyl)-N'-[2-methyl-4-nitro-5-(1-pyrrolidinyl)phenyl]-
SpectraBase Compound ID Hd7N2vikDBA
InChI InChI=1S/C20H21ClN4O4S/c1-12-9-17(25(27)28)16(24-7-3-4-8-24)11-15(12)22-20(30)23-19(26)13-5-6-18(29-2)14(21)10-13/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,22,23,26,30)
InChIKey KIEDDPXPUUXFOO-UHFFFAOYSA-N
Mol Weight 448.93 g/mol
Molecular Formula C20H21ClN4O4S
Exact Mass 448.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 45CQkveo3EA
Name thiourea, N-(3-chloro-4-methoxybenzoyl)-N'-[2-methyl-4-nitro-5-(1-pyrrolidinyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.097204042 u
Formula C20H21ClN4O4S
InChI InChI=1S/C20H21ClN4O4S/c1-12-9-17(25(27)28)16(24-7-3-4-8-24)11-15(12)22-20(30)23-19(26)13-5-6-18(29-2)14(21)10-13/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,22,23,26,30)
InChIKey KIEDDPXPUUXFOO-UHFFFAOYSA-N
Molecular Weight 448.925 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16299
Solvent DMSO-d6
Source Vendor ID: NMR/11211708; Lab Info: LP; Lab Number: LP-2501661