| SpectraBase Spectrum ID |
H9YWVY6fu0j |
| Name |
Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-hexanedicarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.231122133 u |
| Formula |
C22H32N2O5 |
| InChI |
InChI=1S/C22H32N2O5/c1-5-17(23-24-13-9-12-18(24)15-27-2)14-19(16-10-7-6-8-11-16)20(21(25)28-3)22(26)29-4/h6-8,10-11,18-20H,5,9,12-15H2,1-4H3/b23-17-/t18-,19-/m0/s1 |
| InChIKey |
SURAZKPOLFGDCT-ACOCUECTSA-N |
| Molecular Weight |
404.507 g/mol |
| SMILES |
C([C@@](C\C(=N/N1[C@](COC)(CCC1)[H])CC)(C=1C=CC=CC1)[H])(C(=O)OC)C(=O)OC |
![Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-hexanedicarboxylate](/api/spectrum/H9YWVY6fu0j/structure.png?h=300&w=458 "Dimethyl-(2'S,2R)-(+)-4-[2-(methoxymethyl)pyrrolidinoimino]-2-phenyl-1,1-hexanedicarboxylate")
