| SpectraBase Spectrum ID |
9sVKJhAV6iz |
| Name |
Melaleucol |
| CAS Registry Number |
21722-31-6 |
| 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 |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-6-10(14)9(8(3)13)12(16-5)7(2)11(6)15-4/h14H,1-5H3 |
| InChIKey |
JBCWRYMDCRFOGV-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| Number of Peaks |
50 |
| RI1 |
1706 |
| SMILES |
Oc1c(c(c(c(c1C(C)=O)OC)C)OC)C |
| SPLASH |
splash10-0a4l-9660000000-9b122671e3d4f40902c0 |
| 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 |
ethanone, 1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)- |
| Wiley ID |
LM_FFNSC3_2580 |
