| SpectraBase Spectrum ID |
50B4MwXV8y |
| Name |
Nootkatone |
| CAS Registry Number |
4674-50-4 |
| 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(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12?,15+/m1/s1 |
| InChIKey |
WTOYNNBCKUYIKC-YOMIOTDVSA-N |
| Molecular Weight |
218.340 g/mol |
| Nominal Mass |
218 u |
| Number of Peaks |
159 |
| SMILES |
[C@]12(C)C(=CC(C[C@]2(C)[H])=O)CCC(C1)C(C)=C |
| SPLASH |
splash10-0007-5910000000-87a079e7da46cb2aea9b |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001028 |
