| SpectraBase Spectrum ID |
83SbyOYAZPl |
| Name |
Torquatone |
| CAS Registry Number |
808751-12-4 |
| 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 |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-8(2)7-11(16)12-13(17)9(3)14(18-5)10(4)15(12)19-6/h8,17H,7H2,1-6H3 |
| InChIKey |
NBLFXJBSLVQINT-UHFFFAOYSA-N |
| Molecular Weight |
266.337 g/mol |
| Number of Peaks |
50 |
| RI1 |
1872 |
| SMILES |
Oc1c(c(c(c(c1C(CC(C)C)=O)OC)C)OC)C |
| SPLASH |
splash10-0a4i-3490000000-f2df9dd6bfbbb32151e9 |
| 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 |
1-butanone, 1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)-3-methyl- |
| Wiley ID |
LM_FFNSC3_2547 |
