![(3S,6S,8aS)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylic acid](/api/spectrum/DqVMkdM8TU3/structure.png?h=300&w=458 "(3S,6S,8aS)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylic acid")
| SpectraBase Compound ID | O0QK0CBEiI |
|---|---|
| InChI | InChI=1S/C16H18N2O6/c19-14-11(6-7-13-18(14)12(9-23-13)15(20)21)17-16(22)24-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,17,22)(H,20,21)/t11-,12-,13-/m0/s1 |
| InChIKey | IXMMNLIBIRFXKK-AVGNSLFASA-N |
| Mol Weight | 334.33 g/mol |
| Molecular Formula | C16H18N2O6 |
| Exact Mass | 334.116486 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DqVMkdM8TU3 |
|---|---|
| Name | (3S,6S,8aS)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylic acid |
| Alternate Name(s) | (3S,6S,8aS)-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylic acid (3S,6S,8aS)-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid (3S,6S,8aS)-6-(benzyloxycarbonylamino)-5-keto-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid (3S,6S,8aS)-6-(benzyloxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18N2O6 |
| InChI | InChI=1S/C16H18N2O6/c19-14-11(6-7-13-18(14)12(9-23-13)15(20)21)17-16(22)24-8-10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,17,22)(H,20,21)/t11-,12-,13-/m0/s1 |
| InChIKey | IXMMNLIBIRFXKK-AVGNSLFASA-N |
| Molecular Weight | 334.328 g/mol |
| SMILES | OC([C@]1(N2C([C@](CC[C@@]2(OC1)[H])(NC(=O)OCc1ccccc1)[H])=O)[H])=O |
| SPLASH | splash10-002f-9810000000-8f77d5815e90e7852376 |
| Source of Spectrum | J-65-6998-12 |
| Wiley ID | 1533456 |