| SpectraBase Spectrum ID |
KpRdNyYGxsi |
| Name |
Zizanal |
| CAS Registry Number |
82509-29-3 |
| 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/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h9,11-13H,1,4-8H2,2-3H3/t11-,12-,13-,15+/m1/s1 |
| InChIKey |
ONCLDGVLVUPPIN-BHPKHCPMSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
128 |
| SMILES |
C1C[C@](C=O)([C@]23[C@]1(C(=C)C([C@@](C3)(CC2)[H])(C)C)[H])[H] |
| SPLASH |
splash10-05n4-8900000000-fe1bdc7a76d238e1341c |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001412 |
