| SpectraBase Compound ID | FahrhWfSlMM |
|---|---|
| InChI | InChI=1S/C17H26O.C7H6O2.C3H8/c1-11-4-5-13-12(2)6-9-17-15(18-17)7-8-16(17,3)10-14(11)13;8-7(9)6-4-2-1-3-5-6;1-3-2/h11,13-15H,2,4-10H2,1,3H3;1-5H,(H,8,9);3H2,1-2H3/t11?,13?,14?,15-,16+,17?;;/m0../s1 |
| InChIKey | KGOWEBCKEIWZLV-VXCHBURRSA-N |
| Mol Weight | 412.61 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KSB3xBJxDnq |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H36O3 |
| InChI | InChI=1S/C17H26O.C7H6O2.C3H8/c1-11-4-5-13-12(2)6-9-17-15(18-17)7-8-16(17,3)10-14(11)13;8-7(9)6-4-2-1-3-5-6;1-3-2/h11,13-15H,2,4-10H2,1,3H3;1-5H,(H,8,9);3H2,1-2H3/t11?,13?,14?,15-,16+,17?;;/m0../s1 |
| InChIKey | KGOWEBCKEIWZLV-VXCHBURRSA-N |
| Molecular Weight | 412.2967 |
| SMILES | OC(c1ccccc1)=O.C[C@@]12C3(O[C@]3(CC1)[H])CCC(=C)C1CCC(C)C1C2.CCC |
| SPLASH | splash10-0a4i-3920000000-0a29a6d6354aaffebc53 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |