| SpectraBase Spectrum ID |
3h9CvcGJeae |
| Name |
Torquatone |
| CAS Registry Number |
3567-96-2 |
| 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 |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-9(2)8-12(17)13-15(19-6)10(3)14(18-5)11(4)16(13)20-7/h9H,8H2,1-7H3 |
| InChIKey |
PYUCCSKQLHUKCA-UHFFFAOYSA-N |
| Molecular Weight |
280.364 g/mol |
| Number of Peaks |
50 |
| RI1 |
1819 |
| SMILES |
C(=O)(c1c(OC)c(c(OC)c(c1OC)C)C)CC(C)C |
| SPLASH |
splash10-00di-2390000000-f4e7beecd64edf013dc3 |
| 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, 3-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)- |
| Wiley ID |
LM_FFNSC3_2836 |
