| SpectraBase Spectrum ID |
17kjmPirgH8 |
| Name |
Dimethyl 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
537.181743388 u |
| Formula |
C31H28N3O4P |
| InChI |
InChI=1S/C31H28N3O4P/c1-37-29(35)27(34-26-21-13-12-20-25(26)33-31(34)32)28(30(36)38-2)39(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21,27H,1-2H3,(H2-,32,33,36)/b30-28- |
| InChIKey |
SYENPABUIQDTMZ-HYOGKJQXSA-N |
| Molecular Weight |
537.556 g/mol |
| SMILES |
C(N1C(=NC=2C1=CC=CC2)N)(\C([P+](C=1C=CC=CC1)(C1=CC=CC=C1)C1=CC=CC=C1)=C/([O-])OC)C(=O)OC |
