| SpectraBase Spectrum ID |
56Q8gKOeXdk |
| Name |
Isoelemicin |
| CAS Registry Number |
5273-85-8 |
| 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 |
208.109944372 u |
| Formula |
C12H16O3 |
| 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/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+ |
| InChIKey |
RRXOQHQFJOQLQR-AATRIKPKSA-N |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Number of Peaks |
148 |
| SMILES |
COc1c(OC)cc(cc1OC)\C=C\C |
| SPLASH |
splash10-0a4l-4930000000-bad0ca463da7e64b87a2 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000751 |
