| SpectraBase Spectrum ID |
fmmgpzn0q |
| Name |
Sesquicineole |
| CAS Registry Number |
211237-38-6 |
| 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 |
220.182715392 u |
| Formula |
C15H24O |
| 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/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-,14+,15+/m1/s1 |
| InChIKey |
VLUGOADEEDGFLB-ILXRZTDVSA-N |
| Molecular Weight |
220.356 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
90 |
| SMILES |
[C@@]12(O[C@]([C@@](CC2)(C=C1)[H])(CCC=C(C)C)C)C |
| SPLASH |
splash10-0006-9300000000-0a186ff4df9dc731e350 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001251 |
