| SpectraBase Compound ID | A0FyGBBnnlm |
|---|---|
| InChI | InChI=1S/C35H50NO2/c1-23(2)8-7-9-24(3)30-16-17-31-29-15-12-26-22-28(38-33(37)25-10-13-27(36-6)14-11-25)18-20-34(26,4)32(29)19-21-35(30,31)5/h6,10-14,23-24,28-32H,7-9,15-22H2,1-5H3/q+1/t24-,28+,29+,30-,31+,32+,34+,35-/m1/s1 |
| InChIKey | VDPDTHAXRGKWAH-UAHPDCBASA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C35H50NO2 |
| Exact Mass | 516.384155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LI93ykjrcib |
|---|---|
| Name | 3-CHOLESTERYL-PARA-ISOCYANOBENZOATE;(CIB) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50NO2 |
| InChI | InChI=1S/C35H50NO2/c1-23(2)8-7-9-24(3)30-16-17-31-29-15-12-26-22-28(38-33(37)25-10-13-27(36-6)14-11-25)18-20-34(26,4)32(29)19-21-35(30,31)5/h6,10-14,23-24,28-32H,7-9,15-22H2,1-5H3/q+1/t24-,28+,29+,30-,31+,32+,34+,35-/m1/s1 |
| InChIKey | VDPDTHAXRGKWAH-UAHPDCBASA-N |
| Literature Reference Author | C.A.VANWALREE,J.F.VANDERPOL,J.W.ZWIKKER |
| Literature Reference Citation | REC.TR.CH.P.-B.,109,561(1990) |
| Molecular Weight | 516.788 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS2033 |