| SpectraBase Spectrum ID |
4GBW4uHou8N |
| Name |
1H-Pyrrole-2-propanoic acid, 4-acetyl-2,5-dihydro-3-hydroxy-5-oxo-, 1,1-dimethylethyl ester, (S)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.126322711 u |
| Formula |
C13H19NO5 |
| InChI |
InChI=1S/C13H19NO5/c1-7(15)10-11(17)8(14-12(10)18)5-6-9(16)19-13(2,3)4/h8,17H,5-6H2,1-4H3,(H,14,18)/t8-/m0/s1 |
| InChIKey |
NRUVOFLVCAAISD-QMMMGPOBSA-N |
| Molecular Weight |
269.297 g/mol |
| SMILES |
C=1(C(N[C@](C1O)(CCC(OC(C)(C)C)=O)[H])=O)C(=O)C |
