| SpectraBase Compound ID | 9JThDUoI4Ms |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-8-21(6)18(25-14(2)23)13-16-20(5)11-10-17(24)19(3,4)15(20)9-12-22(16,7)26-21/h8,15-18,24H,1,9-13H2,2-7H3/t15?,16?,17-,18-,20-,21+,22+/m1/s1 |
| InChIKey | LAWSULYLFXHAJD-ICDSUGCKSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IvxN6lmdm4N |
|---|---|
| Name | 12-Acetylvarodiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-8-21(6)18(25-14(2)23)13-16-20(5)11-10-17(24)19(3,4)15(20)9-12-22(16,7)26-21/h8,15-18,24H,1,9-13H2,2-7H3/t15?,16?,17-,18-,20-,21+,22+/m1/s1 |
| InChIKey | LAWSULYLFXHAJD-ICDSUGCKSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | O[C@]1(C(C2[C@](C3[C@](O[C@](C=C)(C)[C@@](C3)(OC(=O)C)[H])(C)CC2)(CC1)C)(C)C)[H] |
| SPLASH | splash10-05al-8900000000-a82d7733a9e20f4b02df |
| Source of Spectrum | CF-9-162-76 |
| Wiley ID | 1556639 |