| SpectraBase Spectrum ID |
CSPbU5NnScc |
| Name |
(2S)-5-Ketopyrrolidine-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.110672646 u |
| Formula |
C11H17NO5 |
| InChI |
InChI=1S/C11H17NO5/c1-11(2,3)17-9(14)7-5-6-8(13)12(7)10(15)16-4/h7H,5-6H2,1-4H3/t7-/m0/s1 |
| InChIKey |
VDQCCEIXZWIDFJ-ZETCQYMHSA-N |
| Molecular Weight |
243.259 g/mol |
| SMILES |
[C@]1(N(C(CC1)=O)C(=O)OC)(C(OC(C)(C)C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942115 |
