| SpectraBase Compound ID | 3CwKAucxY1c |
|---|---|
| InChI | InChI=1S/C25H37NO4/c1-17(2)20-15-14-18(3)16-23(20)30-25(28)26-21-12-8-5-9-13-22(21)29-24(27)19-10-6-4-7-11-19/h4,6-7,10-11,17-18,20-23H,5,8-9,12-16H2,1-3H3,(H,26,28)/t18-,20+,21-,22-,23-/m1/s1 |
| InChIKey | DYGKOHCUFRHUJU-OOWPADAASA-N |
| Mol Weight | 415.6 g/mol |
| Molecular Formula | C25H37NO4 |
| Exact Mass | 415.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CdJAV1HsSw |
|---|---|
| Name | (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl trans-2-(benzoyloxy)cycloheptylcarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.272258671 u |
| Formula | C25H37NO4 |
| InChI | InChI=1S/C25H37NO4/c1-17(2)20-15-14-18(3)16-23(20)30-25(28)26-21-12-8-5-9-13-22(21)29-24(27)19-10-6-4-7-11-19/h4,6-7,10-11,17-18,20-23H,5,8-9,12-16H2,1-3H3,(H,26,28)/t18-,20+,21-,22-,23-/m1/s1 |
| InChIKey | DYGKOHCUFRHUJU-OOWPADAASA-N |
| Molecular Weight | 415.574 g/mol |
| SMILES | C(N[C@]1([C@](OC(=O)C=2C=CC=CC2)(CCCCC1)[H])[H])(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O |