![5-[(4S,5S)-3-(2,6-dichlorophenyl)-5-methoxy-2-isoxazolin-4-yl]-3-mesityl-5-phenyl-1,4,2-dioxazole](/api/spectrum/K6r61gKrmLF/structure.png?h=300&w=458 "5-[(4S,5S)-3-(2,6-dichlorophenyl)-5-methoxy-2-isoxazolin-4-yl]-3-mesityl-5-phenyl-1,4,2-dioxazole")
| SpectraBase Compound ID | ACG38P9dhGH |
|---|---|
| InChI | InChI=1S/C27H24Cl2N2O4/c1-15-13-16(2)21(17(3)14-15)25-31-35-27(33-25,18-9-6-5-7-10-18)23-24(30-34-26(23)32-4)22-19(28)11-8-12-20(22)29/h5-14,23,26H,1-4H3/t23-,26-,27?/m0/s1 |
| InChIKey | OMKGDZQEBZDYPL-UDMWCJJBSA-N |
| Mol Weight | 511.41 g/mol |
| Molecular Formula | C27H24Cl2N2O4 |
| Exact Mass | 510.111313 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K6r61gKrmLF |
|---|---|
| Name | 5-[(4S,5S)-3-(2,6-dichlorophenyl)-5-methoxy-2-isoxazolin-4-yl]-3-mesityl-5-phenyl-1,4,2-dioxazole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H24Cl2N2O4 |
| InChI | InChI=1S/C27H24Cl2N2O4/c1-15-13-16(2)21(17(3)14-15)25-31-35-27(33-25,18-9-6-5-7-10-18)23-24(30-34-26(23)32-4)22-19(28)11-8-12-20(22)29/h5-14,23,26H,1-4H3/t23-,26-,27?/m0/s1 |
| InChIKey | OMKGDZQEBZDYPL-UDMWCJJBSA-N |
| Molecular Weight | 511.405 g/mol |
| SMILES | C1(OC(c2c(cc(cc2C)C)C)=NO1)([C@]1(C(=NO[C@@]1(OC)[H])c1c(Cl)cccc1Cl)[H])c1ccccc1 |
| SPLASH | splash10-08fr-0920000000-a8452f6b86d4032ec581 |
| Source of Spectrum | Y-28-431-5 |
| Synonyms | 5-[(4S,5S)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-3-(2,4,6-trimethylphenyl)-1,4,2-dioxazole 5-[(4S,5S)-3-(2,6-dichlorophenyl)-5-methoxy-4,5-dihydroisoxazol-4-yl]-5-phenyl-3-(2,4,6-trimethylphenyl)-1,4,2-dioxazole 5-[(4S,5S)-3-[2,6-bis(chloranyl)phenyl]-5-methoxy-4,5-dihydro-1,2-oxazol-4-yl]-5-phenyl-3-(2,4,6-trimethylphenyl)-1,4,2-dioxazole |
| Wiley ID | 1400477 |