![(3S,6S,8aR)-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid methyl ester](/api/spectrum/KqHm4ZdglWI/structure.png?h=300&w=458 "(3S,6S,8aR)-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid methyl ester")
| SpectraBase Compound ID | LVeDzEQLOYH |
|---|---|
| InChI | InChI=1S/C17H20N2O6/c1-23-16(21)13-10-24-14-8-7-12(15(20)19(13)14)18-17(22)25-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,18,22)/t12-,13-,14+/m0/s1 |
| InChIKey | OOTLLXZHUMEWLA-MELADBBJSA-N |
| Mol Weight | 348.36 g/mol |
| Molecular Formula | C17H20N2O6 |
| Exact Mass | 348.132136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KqHm4ZdglWI |
|---|---|
| Name | (3S,6S,8aR)-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid methyl ester |
| Alternate Name(s) | (3S,6S,8aR)-6-(benzyloxycarbonylamino)-5-keto-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylic acid methyl ester Methyl (3S,6S,8aR)-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylate Methyl (3S,6S,8aR)-5-oxo-6-(phenylmethoxycarbonylamino)-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylate Methyl (3S,6S,8aR)-6-(benzyloxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydrooxazolo[3,2-a]pyridine-3-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20N2O6 |
| InChI | InChI=1S/C17H20N2O6/c1-23-16(21)13-10-24-14-8-7-12(15(20)19(13)14)18-17(22)25-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,18,22)/t12-,13-,14+/m0/s1 |
| InChIKey | OOTLLXZHUMEWLA-MELADBBJSA-N |
| Molecular Weight | 348.355 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)[C@@]1(C(N2[C@](C(=O)OC)(CO[C@@]2(CC1)[H])[H])=O)[H] |
| SPLASH | splash10-0006-9210000000-67bd4e766fb73a52a75c |
| Source of Spectrum | J-65-6997-4 |
| Wiley ID | 1533460 |