![1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea](/api/spectrum/4hhhEg6QRU/structure.png?h=300&w=458 "1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea")
| SpectraBase Compound ID | 64PlZMMr9B4 |
|---|---|
| InChI | InChI=1S/C19H28N2O3/c1-12(2)15-6-4-13(3)8-16(15)21-19(22)20-10-14-5-7-17-18(9-14)24-11-23-17/h5,7,9,12-13,15-16H,4,6,8,10-11H2,1-3H3,(H2,20,21,22)/t13-,15+,16+/m1/s1 |
| InChIKey | MVAPJFSFSPIEGD-KBMXLJTQSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C19H28N2O3 |
| Exact Mass | 332.209993 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4hhhEg6QRU |
|---|---|
| Name | 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]urea |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28N2O3 |
| InChI | InChI=1S/C19H28N2O3/c1-12(2)15-6-4-13(3)8-16(15)21-19(22)20-10-14-5-7-17-18(9-14)24-11-23-17/h5,7,9,12-13,15-16H,4,6,8,10-11H2,1-3H3,(H2,20,21,22)/t13-,15+,16+/m1/s1 |
| InChIKey | MVAPJFSFSPIEGD-KBMXLJTQSA-N |
| Ionization Type | EI |
| Molecular Weight | 332.444 g/mol |
| SMILES | N(Cc1cc2c(cc1)OCO2)C(=O)N[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H] |
| SPLASH | splash10-0089-8902000000-f859ae6962502d8e4475 |
| Source of Spectrum | EP2135516B1 |
| Wiley ID | 1844989 |