| SpectraBase Spectrum ID |
DrqIs9OPacm |
| Name |
(2R,5R)-Dimethyl 1-[diphenylthiophosphonocarbonyl]pyrrolidin-2,5-biscarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.090545598 u |
| Formula |
C21H22NO6PS |
| InChI |
InChI=1S/C21H22NO6PS/c1-26-19(23)17-13-14-18(20(24)27-2)22(17)21(25)28-29(30,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1 |
| InChIKey |
WXGYLFHPKLWJIV-ROUUACIJSA-N |
| Molecular Weight |
447.442 g/mol |
| SMILES |
C(N1[C@](C(=O)OC)(CC[C@]1(C(=O)OC)[H])[H])(OP(=S)(C=1C=CC=CC1)C1=CC=CC=C1)=O |
![(2R,5R)-Dimethyl 1-[diphenylthiophosphonocarbonyl]pyrrolidin-2,5-biscarboxylate](/api/spectrum/DrqIs9OPacm/structure.png?h=300&w=458 "(2R,5R)-Dimethyl 1-[diphenylthiophosphonocarbonyl]pyrrolidin-2,5-biscarboxylate")
