| SpectraBase Spectrum ID |
6GLjA8sbja4 |
| Name |
Zizanone |
| CAS Registry Number |
28624-27-3 |
| 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/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11-,12-,15+/m1/s1 |
| InChIKey |
RVQOGXCBZWSGSS-BLTAXRJOSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
83 |
| SMILES |
C1([C@]2(C[C@@]3([C@@](C1=C)(CC([C@]3(C)[H])=O)[H])CC2)[H])(C)C |
| SPLASH |
splash10-002f-9800000000-cf54164c1b6a58a46e4d |
| Source |
ex VETIVER, kv NEPAL, MS ex MOOSANAGA VAR. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001413 |
