| SpectraBase Spectrum ID |
KJBAoyOTRkQ |
| Name |
Methyl 3-{(1S,2S,5S)-1,5-dimethyl-3,7-dioxo-4-aza-6-oxabicyclo[3.3.0]oct-2-yl}-propionate |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NO5 |
| InChI |
InChI=1S/C12H17NO5/c1-11-6-9(15)18-12(11,2)13-10(16)7(11)4-5-8(14)17-3/h7H,4-6H2,1-3H3,(H,13,16)/t7-,11+,12+/m1/s1 |
| InChIKey |
QMWRSMBJFKXHPJ-MKCWBWRRSA-N |
| Instrument Name |
Finnigan MAT 8200 or Finnigan MAT 95 or Finnigan MAT 95 XL |
| Ionization Type |
EI |
| Literature Reference DOI |
10.24820/ark.5550190.p011.422 |
| Molecular Weight |
255.270 g/mol |
| Optical Rotation |
[a]D20 = +55 (c = 1.05, CHCl3) |
| Reported Formula |
C12H17NO5 |
| SMILES |
N1C([C@]([C@@]2(CC(O[C@]12C)=O)C)(CCC(=O)OC)[H])=O |
| SPLASH |
splash10-00di-6910000000-fc9e5828abb40c3994c5 |
| Source of Spectrum |
ARK-2021-52-3 |
| Thin-Layer Chromatography |
Rf = 0.45 (EtOAc) |
| Wiley ID |
1873114 |
![Methyl 3-{(1S,2S,5S)-1,5-dimethyl-3,7-dioxo-4-aza-6-oxabicyclo[3.3.0]oct-2-yl}-propionate](/api/spectrum/KJBAoyOTRkQ/structure.png?h=300&w=458 "Methyl 3-{(1S,2S,5S)-1,5-dimethyl-3,7-dioxo-4-aza-6-oxabicyclo[3.3.0]oct-2-yl}-propionate")
