| SpectraBase Spectrum ID |
CT17QihbgiU |
| Name |
Isotorquatone |
| CAS Registry Number |
245063-60-9 |
| 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/c1-8-9(2)13(17)12-15(19-6)10(3)14(18-5)11(4)16(12)20-7/h9H,8H2,1-7H3 |
| InChIKey |
NPBLAHCDLPLESG-UHFFFAOYSA-N |
| Molecular Weight |
280.364 g/mol |
| Number of Peaks |
50 |
| RI1 |
1799 |
| SMILES |
c1(c(c(c(c(c1OC)C)OC)C)OC)C(C(CC)C)=O |
| SPLASH |
splash10-00di-4490000000-45f7ff8dd2f8c5e40e96 |
| 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, 2-methyl-1-(2,4,6-trimethoxy-3,5-dimethylphenyl)- |
| Wiley ID |
LM_FFNSC3_2708 |
