| SpectraBase Compound ID | EmZO32qJsPN |
|---|---|
| InChI | InChI=1S/C29H48O/c1-19(30)20-11-16-26(4)21(20)12-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3/t20-,21?,22?,23?,24?,26+,27+,28-,29-/m1/s1 |
| InChIKey | DCBAVUVLEYSTPU-STWGKJRUSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Rht57dtC29 |
|---|---|
| Name | 21.alpha.-H-adiantan-22-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-19(30)20-11-16-26(4)21(20)12-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3/t20-,21?,22?,23?,24?,26+,27+,28-,29-/m1/s1 |
| InChIKey | DCBAVUVLEYSTPU-STWGKJRUSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | [C@@]12([C@]3(C([C@]4(CC[C@@](C4CC3)(C(=O)C)[H])C)CCC1[C@]1(CCCC(C1CC2)(C)C)C)C)C |
| SPLASH | splash10-0006-0901300000-27136812c56b178e5d5d |
| Source of Spectrum | E1-40-1684-0 |
| Wiley ID | 1519433 |