| SpectraBase Compound ID | C5XOUGABV2 |
|---|---|
| InChI | InChI=1S/C31H52N2O/c34-29-15-19-33-18-14-28-27-21-31(28)16-10-6-2-1-3-7-11-17-32-22-24(20-25(31)23-32)12-8-4-5-9-13-26(29)30(27)33/h20,25-30,34H,1-19,21-23H2/t25?,26-,27+,28-,29+,30-,31?/m0/s1 |
| InChIKey | RKTYBHAADIHINC-MJLYECSASA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C31H52N2O |
| Exact Mass | 468.407964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8yi0EFV0zip |
|---|---|
| Name | 8-Hydroxyisosaraine-2 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52N2O |
| InChI | InChI=1S/C31H52N2O/c34-29-15-19-33-18-14-28-27-21-31(28)16-10-6-2-1-3-7-11-17-32-22-24(20-25(31)23-32)12-8-4-5-9-13-26(29)30(27)33/h20,25-30,34H,1-19,21-23H2/t25?,26-,27+,28-,29+,30-,31?/m0/s1 |
| InChIKey | RKTYBHAADIHINC-MJLYECSASA-N |
| Molecular Weight | 468.770 g/mol |
| SMILES | O[C@]1([C@]2([C@]3([C@]4([C@@](C5(C6C=C(CCCCCC2)CN(C6)CCCCCCCCC5)C4)(CCN3CC1)[H])[H])[H])[H])[H] |
| SPLASH | splash10-0a4i-0002900000-1e0495363d2f04e27986 |
| Source of Spectrum | AT-39-466-6 |
| Wiley ID | 854157 |