| SpectraBase Compound ID | KROjNfgLhZH |
|---|---|
| InChI | InChI=1S/C20H29ClO3/c1-13-7-5-8-14(2)11-17-16(15(3)19(23)24-17)12-18(22)20(4,21)10-6-9-13/h8-9,16-18,22H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17-,18+,20-/m0/s1 |
| InChIKey | DURMYJZHFPZWOI-AQUKQNJWSA-N |
| Mol Weight | 352.9 g/mol |
| Molecular Formula | C20H29ClO3 |
| Exact Mass | 352.180522 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ZJxB8IptI |
|---|---|
| Name | Cembranoid - chlorhydrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H29ClO3 |
| InChI | InChI=1S/C20H29ClO3/c1-13-7-5-8-14(2)11-17-16(15(3)19(23)24-17)12-18(22)20(4,21)10-6-9-13/h8-9,16-18,22H,3,5-7,10-12H2,1-2,4H3/b13-9+,14-8+/t16-,17-,18+,20-/m0/s1 |
| InChIKey | DURMYJZHFPZWOI-AQUKQNJWSA-N |
| Molecular Weight | 352.902 g/mol |
| SMILES | O[C@@]1(C[C@]2(C(C(O[C@]2(C\C(=C\CC\C(C)=C\CC[C@@]1(Cl)C)C)[H])=O)=C)[H])[H] |
| SPLASH | splash10-0apl-9400000000-3e006ec9b71f70092c7f |
| Source of Spectrum | X2-56-1111-14 |
| Wiley ID | 1604947 |