| SpectraBase Compound ID | FTVpE2QiTl0 |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-24H,9,11-18H2,1-8H3/t20-,22?,23-,24?,27-,28+,29+,30-/m1/s1 |
| InChIKey | BCQNFYWIPQQTGS-CCCLAIFCSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5fMIHyQ1VyY |
|---|---|
| Name | Adian-5-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-24H,9,11-18H2,1-8H3/t20-,22?,23-,24?,27-,28+,29+,30-/m1/s1 |
| InChIKey | BCQNFYWIPQQTGS-CCCLAIFCSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | [C@]12([C@@](C3CC=C4C([C@@]3(CC2)C)CCC(=O)C4(C)C)(CC[C@]2([C@]1(CC[C@@]2(C(C)C)[H])[H])C)C)C |
| SPLASH | splash10-00di-0290100000-de326f303468b2f55310 |
| Source of Spectrum | E1-40-1689-0 |
| Wiley ID | 1519554 |