| SpectraBase Spectrum ID |
2lutIS8b01b |
| Name |
Isobaeckeol |
| CAS Registry Number |
98442-62-7 |
| 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 |
238.120509056 u |
| Formula |
C13H18O4 |
| 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/C13H18O4/c1-7(2)12(15)11-9(14)6-10(16-4)8(3)13(11)17-5/h6-7,14H,1-5H3 |
| InChIKey |
YIQOFYKWUSYQAJ-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| Nominal Mass |
238 u |
| Number of Peaks |
122 |
| SMILES |
COc1c(c(cc(c1C(C(C)C)=O)O)OC)C |
| SPLASH |
splash10-0002-3900000000-c4a16dd532771cffd296 |
| Source |
ex EUCALYPTUS MINUTA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000726 |
