| SpectraBase Compound ID | FqBtcqTVC5s |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)12-8-13(10)16(17,5)14(9-12)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12+,13+,14+,16-,17-/m0/s1 |
| InChIKey | MTRDJBPAIZDSHC-BRGFHMFZSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LDhC9D5DZts |
|---|---|
| Name | (9R)-9-Acetoxypatchoulol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)12-8-13(10)16(17,5)14(9-12)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12+,13+,14+,16-,17-/m0/s1 |
| InChIKey | MTRDJBPAIZDSHC-BRGFHMFZSA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | O[C@]12[C@]3([C@](C[C@](C[C@]3(OC(=O)C)[H])(C1(C)C)[H])([C@](CC2)(C)[H])[H])C |
| SPLASH | splash10-004i-0910000000-7dd45383dbdc5a03ce04 |
| Source of Spectrum | G4-62-439-6 |
| Wiley ID | 1607782 |