| SpectraBase Compound ID | JQDRuYqd9R0 |
|---|---|
| InChI | InChI=1S/C39H40N3O9PS.Na/c1-46-31-18-14-29(15-19-31)39(28-12-8-5-9-13-28,30-16-20-32(47-2)21-17-30)49-26-34-33(51-52(3,45)53)24-36(50-34)42-23-22-35(40-37(42)43)41-38(44)48-25-27-10-6-4-7-11-27;/h4-23,33-34,36H,24-26H2,1-3H3,(H,45,53)(H,40,41,43,44);/q;+1/p-1/t33-,34+,36+,52?;/m1./s1 |
| InChIKey | SSRCMUDUJSEZAX-MBERGMLDSA-M |
| Mol Weight | 779.8 g/mol |
| Molecular Formula | C39H39N3NaO9PS |
| Exact Mass | 779.204232 g/mol |
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| SpectraBase Spectrum ID | BjMYx7aTjFI |
|---|---|
| Name | SSRCMUDUJSEZAX-MBERGMLDSA-M |
| Compound Number | FAST_SP-6-(B=C_BZ)-SODIUM_SALT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H39N3NaO9PS |
| InChI | InChI=1S/C39H40N3O9PS.Na/c1-46-31-18-14-29(15-19-31)39(28-12-8-5-9-13-28,30-16-20-32(47-2)21-17-30)49-26-34-33(51-52(3,45)53)24-36(50-34)42-23-22-35(40-37(42)43)41-38(44)48-25-27-10-6-4-7-11-27;/h4-23,33-34,36H,24-26H2,1-3H3,(H,45,53)(H,40,41,43,44);/q;+1/p-1/t33-,34+,36+,52?;/m1./s1 |
| InChIKey | SSRCMUDUJSEZAX-MBERGMLDSA-M |
| Literature Reference Author | L.A.WOZNIAK,A.CHWOROS,J.PYZOWSKI,W.J.STEC |
| Literature Reference Citation | J.ORG.CHEM.,63,9109(1998) |
| Literature Reference DOI | 10.1021/jo981304v |
| Solvent | DMF:C6D6 |
| Source File Reference | UWMZ27162 |