| SpectraBase Compound ID | 9Bfh2YYngY |
|---|---|
| InChI | InChI=1S/C34H47NO4/c1-23(2)8-6-9-25(4)31-19-20-32-26(10-7-21-34(31,32)5)12-13-28-22-30(18-11-24(28)3)39-33(36)27-14-16-29(17-15-27)35(37)38/h12-17,23,25,30-32H,3,6-11,18-22H2,1-2,4-5H3/b26-12+,28-13-/t25-,30+,31-,32?,34-/m1/s1 |
| InChIKey | RUYFLIRJKYFJGC-TZGQVTEVSA-N |
| Mol Weight | 533.8 g/mol |
| Molecular Formula | C34H47NO4 |
| Exact Mass | 533.350509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EExwy3ntHi3 |
|---|---|
| Name | VITAMIN-D3-PARA-NITROBENZOATE-ESTER |
| CAS Registry Number | 6183-79-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H47NO4 |
| InChI | InChI=1S/C34H47NO4/c1-23(2)8-6-9-25(4)31-19-20-32-26(10-7-21-34(31,32)5)12-13-28-22-30(18-11-24(28)3)39-33(36)27-14-16-29(17-15-27)35(37)38/h12-17,23,25,30-32H,3,6-11,18-22H2,1-2,4-5H3/b26-12+,28-13-/t25-,30+,31-,32?,34-/m1/s1 |
| InChIKey | RUYFLIRJKYFJGC-TZGQVTEVSA-N |
| Literature Reference Author | E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES |
| Literature Reference Citation | J.ORG.CHEM.,42,3325(1977) |
| Literature Reference DOI | 10.1021/jo00441a001 |
| Molecular Weight | 533.751 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5061 |