| SpectraBase Spectrum ID |
COShBpeN2EI |
| Name |
Xanthorrhizol |
| CAS Registry Number |
30199-26-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1 |
| InChIKey |
FKWGCEDRLNNZOZ-GFCCVEGCSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
145 |
| SMILES |
Oc1cc([C@@](CCC=C(C)C)(C)[H])ccc1C |
| SPLASH |
splash10-000i-3910000000-029ab8d83a9d0112fcdf |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001405 |
