| SpectraBase Spectrum ID |
3tVRTPF2VRl |
| Name |
Xanthostemone |
| CAS Registry Number |
22601-85-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| 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 |
1887167 |
