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ETHYL-5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-YL-THIOCARBAMOYLPHENYLPHOSPHINATE:ISOMER-#1

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ETHYL-5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-YL-THIOCARBAMOYLPHENYLPHOSPHINATE:ISOMER-#1
SpectraBase Compound ID KDksGJwVbIt
InChI InChI=1S/C19H20N3O3PS/c1-3-24-26(23,15-7-5-4-6-8-15)16(17(20)27)19-22-21-18(25-19)14-11-9-13(2)10-12-14/h4-12,16H,3H2,1-2H3,(H2,20,27)
InChIKey NYMLGDBOGYVGPN-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C19H20N3O3PS
Exact Mass 401.0963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cDesuWhmCN
Name ETHYL-5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-YL-THIOCARBAMOYLPHENYLPHOSPHINATE:ISOMER-#2
Compound Number 4.4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N3O3PS
InChI InChI=1S/C19H20N3O3PS/c1-3-24-26(23,15-7-5-4-6-8-15)16(17(20)27)19-22-21-18(25-19)14-11-9-13(2)10-12-14/h4-12,16H,3H2,1-2H3,(H2,20,27)
InChIKey NYMLGDBOGYVGPN-UHFFFAOYSA-N
Literature Reference Author R.NEIDLEIN,M.JOCHHEIM,C.KRIEGER,W.KRAMER
Literature Reference Citation HETEROCYCLES,39,185(1994)
Literature Reference DOI 10.3987/COM-93-S(B)14
Molecular Weight 401.420 g/mol
Solvent DMSO-D6
Source File Reference UWCP7506