![(2S,3R)-3-endo-[1-(1-Methoxycrbonylethylcarbamoyl)-2-phenylethylcarbomoyl]bicyclo[2.2.1]heptane-2-endo-carboxylic acid](/api/spectrum/8Bt59fVhyIr/structure.png?h=300&w=458 "(2S,3R)-3-endo-[1-(1-Methoxycrbonylethylcarbamoyl)-2-phenylethylcarbomoyl]bicyclo[2.2.1]heptane-2-endo-carboxylic acid")
| SpectraBase Compound ID | Bgjw8djZmgm |
|---|---|
| InChI | InChI=1S/C22H28N2O6/c1-30-17(25)9-10-23-20(26)16(11-13-5-3-2-4-6-13)24-21(27)18-14-7-8-15(12-14)19(18)22(28)29/h2-6,14-16,18-19H,7-12H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t14-,15+,16?,18+,19-/m0/s1 |
| InChIKey | WRJOZJJQJFHQRY-UDAYMSPSSA-N |
| Mol Weight | 416.47 g/mol |
| Molecular Formula | C22H28N2O6 |
| Exact Mass | 416.194737 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Bt59fVhyIr |
|---|---|
| Name | (2S,3R)-3-endo-[1-(1-Methoxycrbonylethylcarbamoyl)-2-phenylethylcarbomoyl]bicyclo[2.2.1]heptane-2-endo-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O6 |
| InChI | InChI=1S/C22H28N2O6/c1-30-17(25)9-10-23-20(26)16(11-13-5-3-2-4-6-13)24-21(27)18-14-7-8-15(12-14)19(18)22(28)29/h2-6,14-16,18-19H,7-12H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t14-,15+,16?,18+,19-/m0/s1 |
| InChIKey | WRJOZJJQJFHQRY-UDAYMSPSSA-N |
| Molecular Weight | 416.474 g/mol |
| SMILES | OC([C@@]1([C@](C(NC(C(=O)NCCC(=O)OC)Cc2ccccc2)=O)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H])=O |
| SPLASH | splash10-00di-1901000000-5c33050568e7b8e10cf7 |
| Source of Spectrum | F-69-743-12 |
| Wiley ID | 1594585 |