| SpectraBase Spectrum ID |
BOXILXBF9hB |
| 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 |
| 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 |
| Number of Peaks |
50 |
| RI1 |
1437 |
| SMILES |
C1(C(C=CC(C1C(C(C)C)=O)=O)(C)C)=O |
| SPLASH |
splash10-0006-9500000000-44ba58b4cf49d1234567 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
4-cyclohexene-1,3-dione, 6,6-dimethyl-2-(2-methyl-1-oxopropyl)- |
| Wiley ID |
LM_FFNSC3_2596 |
