| SpectraBase Spectrum ID |
6kmzpPUZehs |
| Name |
(3S,6R,7ar)-3-Tert-butyl-1,6,7,7A-tetrahydro-6-methyl-5-oxopyrrolo[1,2-C]oxazolidine-6,7A-dicarboxylic acid 6-benzyl 7A-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.183837587 u |
| Formula |
C21H27NO6 |
| InChI |
InChI=1S/C21H27NO6/c1-19(2,3)16-22-15(23)20(4,12-21(22,13-28-16)18(25)26-5)17(24)27-11-14-9-7-6-8-10-14/h6-10,16H,11-13H2,1-5H3/t16-,20+,21+/m0/s1 |
| InChIKey |
ODJYXDDDONYVRL-ZLGUVYLKSA-N |
| Molecular Weight |
389.448 g/mol |
| SMILES |
[C@@]12(N(C([C@@](C2)(C(OCC2=CC=CC=C2)=O)C)=O)[C@@](OC1)(C(C)(C)C)[H])C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954483 |
![(3S,6R,7aR)-3-tert-Butyl-1,6,7,7a-tetrahydro-6-methyl-5-oxopyrrolo[1,2-c]oxazolidine-6,7a-dicarboxylic acid 6-benzyl 7a-methyl ester](/api/spectrum/6kmzpPUZehs/structure.png?h=300&w=458 "(3S,6R,7aR)-3-tert-Butyl-1,6,7,7a-tetrahydro-6-methyl-5-oxopyrrolo[1,2-c]oxazolidine-6,7a-dicarboxylic acid 6-benzyl 7a-methyl ester")
