![[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-alanine - 2",2",2"-trichloroethyl ester](/api/spectrum/1Z1nXkznvMd/structure.png?h=300&w=458 "[2-(<S>-2'-Oxo-4'-phenylazetidin-1'-yl)acetyl]-L-valyl-L-alanine - 2\",2\",2\"-trichloroethyl ester")
| SpectraBase Compound ID | 9uNUMaC9NYe |
|---|---|
| InChI | InChI=1S/C21H26Cl3N3O5/c1-12(2)18(19(30)25-13(3)20(31)32-11-21(22,23)24)26-16(28)10-27-15(9-17(27)29)14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,25,30)(H,26,28)/t13-,15-,18-/m0/s1 |
| InChIKey | GREOKWAUXIBWNX-YEWWUXTCSA-N |
| Mol Weight | 506.81 g/mol |
| Molecular Formula | C21H26Cl3N3O5 |
| Exact Mass | 505.093804 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Z1nXkznvMd |
|---|---|
| Name | [2-( |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26Cl3N3O5 |
| InChI | InChI=1S/C21H26Cl3N3O5/c1-12(2)18(19(30)25-13(3)20(31)32-11-21(22,23)24)26-16(28)10-27-15(9-17(27)29)14-7-5-4-6-8-14/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,25,30)(H,26,28)/t13-,15-,18-/m0/s1 |
| InChIKey | GREOKWAUXIBWNX-YEWWUXTCSA-N |
| Molecular Weight | 506.814 g/mol |
| SMILES | N([C@](C(N[C@](C(OCC(Cl)(Cl)Cl)=O)(C)[H])=O)(C(C)C)[H])C(CN1C(=O)C[C@]1(c1ccccc1)[H])=O |
| SPLASH | splash10-0aor-0590000000-80ca3ce6a0eb420c7b32 |
| Source of Spectrum | D8-333-250-24 |
| Wiley ID | 1516858 |