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1-[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]-3-(3,4-dimethoxyphenethyl)urea
SpectraBase Compound ID 6QF13O1TXSh
InChI InChI=1S/C21H22ClN3O4/c1-13-19(20(25-29-13)15-6-4-5-7-16(15)22)24-21(26)23-11-10-14-8-9-17(27-2)18(12-14)28-3/h4-9,12H,10-11H2,1-3H3,(H2,23,24,26)
InChIKey PQXSODMZKYDAHJ-UHFFFAOYSA-N
Mol Weight 415.88 g/mol
Molecular Formula C21H22ClN3O4
Exact Mass 415.129884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnGgwFWTvrc
Name 1-[3-(o-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-3-(3,4-DIMETHOXYPHENETHYL)UREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN3O4
InChI InChI=1S/C21H22ClN3O4/c1-13-19(20(25-29-13)15-6-4-5-7-16(15)22)24-21(26)23-11-10-14-8-9-17(27-2)18(12-14)28-3/h4-9,12H,10-11H2,1-3H3,(H2,23,24,26)
InChIKey PQXSODMZKYDAHJ-UHFFFAOYSA-N
Melting Point 124-125C
Molecular Weight 415.88
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms UREA, 1-/3-/O-CHLOROPHENYL/- 5-METHYL-4-ISOXAZOLYL/-3-/3,4-DIMETHOXYPHENETHYL/-,