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3H-1,2,4-triazole-3-thione, 5-[(2,4-dichlorophenoxy)methyl]-2,4-dihydro-4-(2-methylphenyl)-2-(4-morpholinylmethyl)-
SpectraBase Compound ID 1SmXkbEfoXB
InChI InChI=1S/C21H22Cl2N4O2S/c1-15-4-2-3-5-18(15)27-20(13-29-19-7-6-16(22)12-17(19)23)24-26(21(27)30)14-25-8-10-28-11-9-25/h2-7,12H,8-11,13-14H2,1H3
InChIKey FXOJASLMDOZLEM-UHFFFAOYSA-N
Mol Weight 465.4 g/mol
Molecular Formula C21H22Cl2N4O2S
Exact Mass 464.084053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVDn4rVfV8U
Name 3H-1,2,4-triazole-3-thione, 5-[(2,4-dichlorophenoxy)methyl]-2,4-dihydro-4-(2-methylphenyl)-2-(4-morpholinylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.084052536 u
Formula C21H22Cl2N4O2S
InChI InChI=1S/C21H22Cl2N4O2S/c1-15-4-2-3-5-18(15)27-20(13-29-19-7-6-16(22)12-17(19)23)24-26(21(27)30)14-25-8-10-28-11-9-25/h2-7,12H,8-11,13-14H2,1H3
InChIKey FXOJASLMDOZLEM-UHFFFAOYSA-N
Molecular Weight 465.399 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18240
Solvent DMSO-d6
Source Vendor ID: NMR/11211035; Lab Info: DEM; Lab Number: 0394