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4(3H)-pyrimidinone, 2-[[2-(dimethyl-lambda~5~-azanyl)ethyl]thio]-5-hexyl-6-hydroxy-3-phenyl-, chloride
SpectraBase Compound ID EJmEhHciQuW
InChI InChI=1S/C20H30N3O2S.ClH/c1-4-5-6-10-13-17-18(24)21-20(26-15-14-22(2)3)23(19(17)25)16-11-8-7-9-12-16;/h7-9,11-12,22,24H,4-6,10,13-15H2,1-3H3;1H/p-1
InChIKey KLHOCIMPCBAZMV-UHFFFAOYSA-M
Mol Weight 411.99 g/mol
Molecular Formula C20H30ClN3O2S
Exact Mass 411.174726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HmQwP2e90Ns
Name 4(3H)-pyrimidinone, 2-[[2-(dimethyl-lambda~5~-azanyl)ethyl]thio]-5-hexyl-6-hydroxy-3-phenyl-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.174726090 u
Formula C20H30ClN3O2S
InChI InChI=1S/C20H30N3O2S.ClH/c1-4-5-6-10-13-17-18(24)21-20(26-15-14-22(2)3)23(19(17)25)16-11-8-7-9-12-16;/h7-9,11-12,22,24H,4-6,10,13-15H2,1-3H3;1H/p-1
InChIKey KLHOCIMPCBAZMV-UHFFFAOYSA-M
Molecular Weight 411.992 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12819
Solvent DMSO-d6
Source Vendor ID: ZI/10023310; Lab Info: PLU; Lab Number: FCI-427-0058