| SpectraBase Compound ID | CBmRdST6DeB |
|---|---|
| InChI | InChI=1S/C33H32N3O4P/c1-2-22-18-21-28-29(36-33(34)35-28)26(22)19-20-27(31(37)38)30(32(39)40)41(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-18,21,27H,2,19-20H2,1H3,(H,37,38)(H,39,40)(H3,34,35,36) |
| InChIKey | CQZZSPFJPSDYIV-UHFFFAOYSA-N |
| Mol Weight | 565.6 g/mol |
| Molecular Formula | C33H32N3O4P |
| Exact Mass | 565.213044 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8cA5O6QgGbe |
|---|---|
| Name | Diethyl 2-(2'-aminobenzimidazol)-3-(triphenylphosphoranylidene)butanedioate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H32N3O4P |
| InChI | InChI=1S/C33H32N3O4P/c1-2-22-18-21-28-29(36-33(34)35-28)26(22)19-20-27(31(37)38)30(32(39)40)41(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-18,21,27H,2,19-20H2,1H3,(H,37,38)(H,39,40)(H3,34,35,36) |
| InChIKey | CQZZSPFJPSDYIV-UHFFFAOYSA-N |
| Molecular Weight | 565.610 g/mol |
| SMILES | OC(C(CCc1c2c([nH]c(n2)N)ccc1CC)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)=O |
| SPLASH | splash10-06su-2987000000-f04fd945b2a0c1588eb5 |
| Source of Spectrum | SK-31-2642-4 |
| Wiley ID | 882153 |