| SpectraBase Spectrum ID |
DWLyGLtXbOP |
| Name |
Isotorquatone |
| CAS Registry Number |
808751-11-3 |
| 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 |
266.151809184 u |
| Formula |
C15H22O4 |
| 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/C15H22O4/c1-7-8(2)12(16)11-13(17)9(3)14(18-5)10(4)15(11)19-6/h8,17H,7H2,1-6H3 |
| InChIKey |
AXCGVVFNAIMHAG-UHFFFAOYSA-N |
| Molecular Weight |
266.337 g/mol |
| Nominal Mass |
266 u |
| Number of Peaks |
84 |
| SMILES |
COc1c(c(c(c(c1C(C(CC)C)=O)O)C)OC)C |
| SPLASH |
splash10-0a4i-3390000000-c3a9a24fa173bdb2db52 |
| Source |
ex EUCALYPTUS MINUTA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000791 |
