![[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] N-(1,3-benzodioxol-5-ylmethyl)carbamate](/api/spectrum/L2t7rnSiBTu/structure.png?h=300&w=458 "[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] N-(1,3-benzodioxol-5-ylmethyl)carbamate")
| SpectraBase Compound ID | Hwa1QG4BM0T |
|---|---|
| InChI | InChI=1S/C19H27NO4/c1-12(2)15-6-4-13(3)8-17(15)24-19(21)20-10-14-5-7-16-18(9-14)23-11-22-16/h5,7,9,12-13,15,17H,4,6,8,10-11H2,1-3H3,(H,20,21)/t13-,15+,17+/m1/s1 |
| InChIKey | ONLRHDYJDOPHOD-KMFMINBZSA-N |
| Mol Weight | 333.43 g/mol |
| Molecular Formula | C19H27NO4 |
| Exact Mass | 333.194008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L2t7rnSiBTu |
|---|---|
| Name | [(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] N-(1,3-benzodioxol-5-ylmethyl)carbamate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H27NO4 |
| InChI | InChI=1S/C19H27NO4/c1-12(2)15-6-4-13(3)8-17(15)24-19(21)20-10-14-5-7-16-18(9-14)23-11-22-16/h5,7,9,12-13,15,17H,4,6,8,10-11H2,1-3H3,(H,20,21)/t13-,15+,17+/m1/s1 |
| InChIKey | ONLRHDYJDOPHOD-KMFMINBZSA-N |
| Ionization Type | EI |
| Molecular Weight | 333.428 g/mol |
| SMILES | N(Cc1cc2c(cc1)OCO2)C(=O)O[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H] |
| SPLASH | splash10-0007-2900000000-75bf426a6cff01af13fa |
| Source of Spectrum | EP2135516B1 |
| Wiley ID | 1844987 |