| SpectraBase Spectrum ID |
36SFwjK82sv |
| Name |
Ionol |
| CAS Registry Number |
25312-34-9 |
| 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 |
194.167065327 u |
| Formula |
C13H22O |
| 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/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,11-12,14H,5,9H2,1-4H3/b8-7+ |
| InChIKey |
PWDOJWCZWKWKSE-BQYQJAHWSA-N |
| Molecular Weight |
194.318 g/mol |
| Nominal Mass |
194 u |
| Number of Peaks |
79 |
| SMILES |
OC(\C=C\C1C(C)(C)CCC=C1C)C |
| SPLASH |
splash10-0007-9200000000-116a23ce57343f71854a |
| Source |
ex BEDOUKIAN ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001760 |
