| SpectraBase Compound ID | 5VAIP2aOJJQ |
|---|---|
| InChI | InChI=1S/C42H31O5P.Na/c43-41-37-33-15-35(31-13-27-23-9-21(25(27)11-29(31)33)17-5-1-3-7-19(17)23)39(37)42(47-48(44,45)46)40-36-16-34(38(40)41)30-12-26-22-10-24(28(26)14-32(30)36)20-8-4-2-6-18(20)22;/h1-8,11-14,21-24,33-36,43H,9-10,15-16H2,(H2,44,45,46);/q;+2/p-2/t21-,22+,23+,24-,33-,34+,35+,36-; |
| InChIKey | FEZACJKYCMMCHW-ACWHRDKHSA-L |
| Mol Weight | 667.7 g/mol |
| Molecular Formula | C42H29NaO5P |
| Exact Mass | 667.16503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ImAJXnZI6j |
|---|---|
| Name | SODIUM-SALT |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H29NaO5P |
| InChI | InChI=1S/C42H31O5P.Na/c43-41-37-33-15-35(31-13-27-23-9-21(25(27)11-29(31)33)17-5-1-3-7-19(17)23)39(37)42(47-48(44,45)46)40-36-16-34(38(40)41)30-12-26-22-10-24(28(26)14-32(30)36)20-8-4-2-6-18(20)22;/h1-8,11-14,21-24,33-36,43H,9-10,15-16H2,(H2,44,45,46);/q;+2/p-2/t21-,22+,23+,24-,33-,34+,35+,36-; |
| InChIKey | FEZACJKYCMMCHW-ACWHRDKHSA-L |
| Literature Reference Author | T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1080(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201052 |
| Molecular Weight | 667.653 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT20610 |