| SpectraBase Compound ID | 4zbTxnL6xga |
|---|---|
| InChI | InChI=1S/C31H52N2O/c34-30-18-21-33-20-17-27-26-22-25-14-10-7-8-12-16-29(30)31(33)28(27)15-11-6-4-2-1-3-5-9-13-19-32(23-25)24-26/h3,5,22,26-31,34H,1-2,4,6-21,23-24H2/b5-3-/t26-,27-,28-,29+,30-,31-/m1/s1 |
| InChIKey | JJBARFRKNNOUQG-IUHGNENJSA-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 | ERTXsXHgLMC |
|---|---|
| Name | 8-Hydroxyisosaraine-1 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52N2O |
| InChI | InChI=1S/C31H52N2O/c34-30-18-21-33-20-17-27-26-22-25-14-10-7-8-12-16-29(30)31(33)28(27)15-11-6-4-2-1-3-5-9-13-19-32(23-25)24-26/h3,5,22,26-31,34H,1-2,4,6-21,23-24H2/b5-3-/t26-,27-,28-,29+,30-,31-/m1/s1 |
| InChIKey | JJBARFRKNNOUQG-IUHGNENJSA-N |
| Molecular Weight | 468.770 g/mol |
| SMILES | O[C@]1([C@]2([C@]3([C@]4([C@@]([C@@]5(C=C(CCCCCC2)CN(C5)CCC\C=C/CCCCCC4)[H])(CCN3CC1)[H])[H])[H])[H])[H] |
| SPLASH | splash10-014i-0002900000-9e93d15d970100173c95 |
| Source of Spectrum | AT-39-466-5 |
| Wiley ID | 854158 |