| SpectraBase Compound ID | 7ZlmvYHeJGT |
|---|---|
| InChI | InChI=1S/C23H38O/c1-16-8-11-20-22(5,18(16)10-9-17(2)24)15-12-19-21(3,4)13-7-14-23(19,20)6/h8,18-20H,7,9-15H2,1-6H3/t18-,19?,20?,22+,23+/m1/s1 |
| InChIKey | YDUWQPIMCNQBIC-JUNWAVFTSA-N |
| Mol Weight | 330.6 g/mol |
| Molecular Formula | C23H38O |
| Exact Mass | 330.292266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LdGSwVHRPt4 |
|---|---|
| Name | ent-Isocopalylacetone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H38O |
| InChI | InChI=1S/C23H38O/c1-16-8-11-20-22(5,18(16)10-9-17(2)24)15-12-19-21(3,4)13-7-14-23(19,20)6/h8,18-20H,7,9-15H2,1-6H3/t18-,19?,20?,22+,23+/m1/s1 |
| InChIKey | YDUWQPIMCNQBIC-JUNWAVFTSA-N |
| Molecular Weight | 330.556 g/mol |
| SMILES | [C@]12(C([C@]3(CCCC(C3CC2)(C)C)C)CC=C([C@]1(CCC(=O)C)[H])C)C |
| SPLASH | splash10-05u5-9741000000-f4d9656bf6965f3fce87 |
| Source of Spectrum | F4-0-2390-18 |
| Wiley ID | 1620190 |