| SpectraBase Compound ID | A5l89vMNHJ0 |
|---|---|
| InChI | InChI=1S/C34H48N2O6/c1-21(2)7-6-8-22(3)29-11-12-30-28-10-9-24-19-27(13-15-33(24,4)31(28)14-16-34(29,30)5)42-32(37)23-17-25(35(38)39)20-26(18-23)36(40)41/h9,17-18,20-22,27-31H,6-8,10-16,19H2,1-5H3/t22-,27-,28?,29?,30?,31?,33-,34+/m0/s1 |
| InChIKey | HHGUYYDVBVJLCU-TUSVBOHCSA-N |
| Mol Weight | 580.8 g/mol |
| Molecular Formula | C34H48N2O6 |
| Exact Mass | 580.351237 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1e5pPjqYgEM |
|---|---|
| Name | Cholesteryl 3,5-dinitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48N2O6 |
| InChI | InChI=1S/C34H48N2O6/c1-21(2)7-6-8-22(3)29-11-12-30-28-10-9-24-19-27(13-15-33(24,4)31(28)14-16-34(29,30)5)42-32(37)23-17-25(35(38)39)20-26(18-23)36(40)41/h9,17-18,20-22,27-31H,6-8,10-16,19H2,1-5H3/t22-,27-,28?,29?,30?,31?,33-,34+/m0/s1 |
| InChIKey | HHGUYYDVBVJLCU-TUSVBOHCSA-N |
| Molecular Weight | 580.766 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)(C4)[H])C)CCC1[C@](CCCC(C)C)(C)[H])C |
| SPLASH | splash10-05mp-2923000000-c28196c8a3cf95ad59ce |
| Source of Spectrum | KC-0-968-5 |
| Wiley ID | 821551 |