| SpectraBase Spectrum ID |
DCN4Feu5iMh |
| Name |
Xanthostemone |
| CAS Registry Number |
22601-85-0 |
| 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/c1-7(2)10(14)9-8(13)5-6-12(3,4)11(9)15/h5-7,9H,1-4H3 |
| InChIKey |
KGJFFBOOYRBYNK-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| Nominal Mass |
208 u |
| Number of Peaks |
151 |
| SMILES |
C1=CC(C(C(C1=O)C(C(C)C)=O)=O)(C)C |
| SPLASH |
splash10-0006-9500000000-f9c1da58723396261c39 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001406 |
