| SpectraBase Spectrum ID |
FnuCOMO854N |
| Name |
Erythro/threo-benzyl 2-(1-isopropyl-5-oxotetrahydro-1H-2-pyrrolyl)-2-tosylacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.160994142 u |
| Formula |
C23H27NO5S |
| InChI |
InChI=1S/C23H27NO5S/c1-16(2)24-20(13-14-21(24)25)22(23(26)29-15-18-7-5-4-6-8-18)30(27,28)19-11-9-17(3)10-12-19/h4-12,16,20,22H,13-15H2,1-3H3 |
| InChIKey |
OJMMYUYQLDQXBW-UHFFFAOYSA-N |
| Molecular Weight |
429.531 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)(C1N(C(=O)CC1)C(C)C)C(OCC1=CC=CC=C1)=O |
