![Methyl (1S,2R)-N-[(R)-valinyl]-1-amino-2-hydroxymethyl-3-cyclohexene-1-carboxylate](/api/spectrum/BS2uoDDT3mB/structure.png?h=300&w=458 "Methyl (1S,2R)-N-[(R)-valinyl]-1-amino-2-hydroxymethyl-3-cyclohexene-1-carboxylate")
| SpectraBase Compound ID | 5BXWpIPOocv |
|---|---|
| InChI | InChI=1S/C14H24N2O4/c1-9(2)11(15)12(18)16-14(13(19)20-3)7-5-4-6-10(14)8-17/h4,6,9-11,17H,5,7-8,15H2,1-3H3,(H,16,18)/t10-,11+,14-/m0/s1 |
| InChIKey | VEKOEKKGOLSEGV-WDMOLILDSA-N |
| Mol Weight | 284.36 g/mol |
| Molecular Formula | C14H24N2O4 |
| Exact Mass | 284.173607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BS2uoDDT3mB |
|---|---|
| Name | Methyl (1S,2R)-N-[(R)-valinyl]-1-amino-2-hydroxymethyl-3-cyclohexene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H24N2O4 |
| InChI | InChI=1S/C14H24N2O4/c1-9(2)11(15)12(18)16-14(13(19)20-3)7-5-4-6-10(14)8-17/h4,6,9-11,17H,5,7-8,15H2,1-3H3,(H,16,18)/t10-,11+,14-/m0/s1 |
| InChIKey | VEKOEKKGOLSEGV-WDMOLILDSA-N |
| Molecular Weight | 284.356 g/mol |
| SMILES | N([C@@]1([C@](CO)(C=CCC1)[H])C(=O)OC)C([C@](N)(C(C)C)[H])=O |
| SPLASH | splash10-00di-6960000000-e866dd5c40dace2ed066 |
| Source of Spectrum | QC-9-2367-13 |
| Wiley ID | 870686 |