| SpectraBase Spectrum ID |
CACP9yOGipe |
| Name |
(1S,5R,6R)-3-Benzyl-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.095022582 u |
| Formula |
C14H15NO5 |
| InChI |
InChI=1S/C14H15NO5/c1-18-14(17)12-11-13(16)15(8-10(19-11)20-12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11+,12+/m0/s1 |
| InChIKey |
WYTLOBQYXILRKB-QJPTWQEYSA-N |
| SMILES |
[C@]12(C(N(C[C@](O[C@]2(C(=O)OC)[H])(O1)[H])CC=1C=CC=CC1)=O)[H] |
![(1S,5R,6R)-3-benzyl-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid methyl ester](/api/spectrum/CACP9yOGipe/structure.png?h=300&w=458 "(1S,5R,6R)-3-benzyl-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid methyl ester")
