| SpectraBase Spectrum ID |
23KoedT5iPM |
| Name |
(1S,5R,6R)-4-Keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.048072389 u |
| Formula |
C7H9NO5 |
| InChI |
InChI=1S/C7H9NO5/c1-11-7(10)5-4-6(9)8-2-3(12-4)13-5/h3-5H,2H2,1H3,(H,8,9)/t3-,4+,5+/m0/s1 |
| InChIKey |
ROVNWXFULCGWSK-VPENINKCSA-N |
| Molecular Weight |
187.151 g/mol |
| SMILES |
[C@]12(C(NC[C@](O[C@]2(C(=O)OC)[H])(O1)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946661 |
![(1S,5R,6R)-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid methyl ester](/api/spectrum/23KoedT5iPM/structure.png?h=300&w=458 "(1S,5R,6R)-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid methyl ester")
