| SpectraBase Compound ID | 4yMzQaQEPpZ |
|---|---|
| InChI | InChI=1S/C33H51N/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-14,23-24,27-31,34H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | QLUKVXBTMCXYMC-IVFUUCCDSA-N |
| Mol Weight | 461.8 g/mol |
| Molecular Formula | C33H51N |
| Exact Mass | 461.402151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J50YqEvB5s |
|---|---|
| Name | N-Cholesterylaniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.402150646 u |
| Formula | C33H51N |
| InChI | InChI=1S/C33H51N/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-14,23-24,27-31,34H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,32+,33-/m1/s1 |
| InChIKey | QLUKVXBTMCXYMC-IVFUUCCDSA-N |
| Molecular Weight | 461.778 g/mol |
| SMILES | [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H])C)(NC1=CC=CC=C1)[H] |