| SpectraBase Compound ID | Cbw1RqoAbaK |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10-/m0/s1 |
| InChIKey | AKASWINDKIEEBO-UWVGGRQHSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8A9OkSLnIK5 |
|---|---|
| Name | Rotundifolone |
| CAS Registry Number | 3564-96-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3/t9-,10-/m0/s1 |
| InChIKey | AKASWINDKIEEBO-UWVGGRQHSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | [C@@]12(O[C@]2(CCC(C1=O)=C(C)C)C)[H] |
| SPLASH | splash10-00kr-9600000000-0ee57127498dd09ff482 |
| Source of Spectrum | UT-1990-1250-0 |
| Wiley ID | 1162656 |