| SpectraBase Compound ID | IKz95dQ1MiT |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-8-21(6)17(24)13-16-20(5)11-10-18(25-14(2)23)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 | RQAKPAGNCKWNAV-ICDSUGCKSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BxWLcQ0w67X |
|---|---|
| Name | 3-Acetylvarodiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-8-21(6)17(24)13-16-20(5)11-10-18(25-14(2)23)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 | RQAKPAGNCKWNAV-ICDSUGCKSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | O[C@@]1(CC2[C@]3(C(C([C@](OC(=O)C)(CC3)[H])(C)C)CC[C@@]2(O[C@]1(C=C)C)C)C)[H] |
| SPLASH | splash10-004j-3900000000-5a1b89761c388cc1d361 |
| Source of Spectrum | CF-9-162-75 |
| Wiley ID | 1556640 |