| SpectraBase Compound ID | 9ZVfKhm2GNz |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14+,16-,17+/m1/s1 |
| InChIKey | RAPAFGOPSFDECW-JRIUUZRMSA-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 | EuKFKXtgwBe |
|---|---|
| Name | (8R)-8-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)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13-,14+,16-,17+/m1/s1 |
| InChIKey | RAPAFGOPSFDECW-JRIUUZRMSA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | O[C@]12[C@]3([C@](C[C@]([C@](C3)(OC(=O)C)[H])(C1(C)C)[H])([C@@](CC2)(C)[H])[H])C |
| SPLASH | splash10-004j-5950000000-a52acc22adc71fd34c62 |
| Source of Spectrum | G4-62-439-5 |
| Wiley ID | 1607784 |