![2-(4-Ethylphenyl)-2-oxoethyl 2-[(1-adamantylcarbonyl)amino]-3-methylbutanoate](/api/spectrum/PjvVJiwd4C/structure.png?h=300&w=458 "2-(4-Ethylphenyl)-2-oxoethyl 2-[(1-adamantylcarbonyl)amino]-3-methylbutanoate")
| SpectraBase Compound ID | 1HFhc8jRCMy |
|---|---|
| InChI | InChI=1S/C26H35NO4/c1-4-17-5-7-21(8-6-17)22(28)15-31-24(29)23(16(2)3)27-25(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h5-8,16,18-20,23H,4,9-15H2,1-3H3,(H,27,30)/t18-,19+,20-,23?,26- |
| InChIKey | WCBYTSIBTNDSFF-HDWGDBBDSA-N |
| Mol Weight | 425.6 g/mol |
| Molecular Formula | C26H35NO4 |
| Exact Mass | 425.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PjvVJiwd4C |
|---|---|
| Name | 2-(4-Ethylphenyl)-2-oxoethyl 2-[(1-adamantylcarbonyl)amino]-3-methylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.256608607 u |
| Formula | C26H35NO4 |
| InChI | InChI=1S/C26H35NO4/c1-4-17-5-7-21(8-6-17)22(28)15-31-24(29)23(16(2)3)27-25(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h5-8,16,18-20,23H,4,9-15H2,1-3H3,(H,27,30)/t18-,19+,20-,23?,26- |
| InChIKey | WCBYTSIBTNDSFF-HDWGDBBDSA-N |
| Molecular Weight | 425.569 g/mol |
| SMILES | N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C(C(OCC(C1=CC=C(C=C1)CC)=O)=O)C(C)C |