| SpectraBase Spectrum ID |
F9OW3qooPJB |
| Name |
(2R)-3-Keto-2-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]pyrrolidine-1-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.173272904 u |
| Formula |
C19H25NO5 |
| InChI |
InChI=1S/C19H25NO5/c1-19(2,3)25-18(22)20-11-9-14(21)16(20)15-10-12-23-17(24-15)13-7-5-4-6-8-13/h4-8,15-17H,9-12H2,1-3H3/t15-,16-,17-/m0/s1 |
| InChIKey |
QSYOJOGRTQJDFC-ULQDDVLXSA-N |
| Molecular Weight |
347.411 g/mol |
| SMILES |
C(N1[C@]([C@]2(O[C@@](C3=CC=CC=C3)(OCC2)[H])[H])(C(=O)CC1)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911635 |
![(2R)-3-keto-2-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]pyrrolidine-1-carboxylic acid tert-butyl ester](/api/spectrum/F9OW3qooPJB/structure.png?h=300&w=458 "(2R)-3-keto-2-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]pyrrolidine-1-carboxylic acid tert-butyl ester")
