| SpectraBase Spectrum ID |
1kceEbDzybU |
| Name |
Ageratochromene |
| CAS Registry Number |
644-06-4 |
| 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 |
220.109944372 u |
| Formula |
C13H16O3 |
| 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/C13H16O3/c1-13(2)6-5-9-7-11(14-3)12(15-4)8-10(9)16-13/h5-8H,1-4H3 |
| InChIKey |
PTIDGSWTMLSGAH-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| Nominal Mass |
220 u |
| Number of Peaks |
131 |
| SMILES |
COc1cc2c(cc1OC)OC(C=C2)(C)C |
| SPLASH |
splash10-0a4i-7790000000-9b8b6588fe3ef6ef10ed |
| Source |
ex Ageratum houstonianum ex Aldo Tara, Italy |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000038 |
