![1-[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]-3-(3,4-dimethoxyphenethyl)urea](/api/spectrum/JHI8SWwt06C/structure.png?h=300&w=458 "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 |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JHI8SWwt06C |
|---|---|
| Name | 1-[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]-3-(3,4-dimethoxyphenethyl)urea |
| Copyright | Copyright © 2009-2024 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 |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 24917M |
| Solvent | CDCl3 |