| SpectraBase Spectrum ID |
KaQ4y0zfde4 |
| 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 |
| 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/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 |
| Nominal Mass |
224 u |
| Number of Peaks |
172 |
| SMILES |
CC(=O)c1c(c(c(c(c1OC)C)OC)C)O |
| SPLASH |
splash10-0a4i-9660000000-a17c65c41c554401aa7b |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000890 |
