| SpectraBase Spectrum ID |
90KktkKJiVu |
| Name |
Isoelemicin <(E)-> |
| CAS Registry Number |
5273-85-8 |
| 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 |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+ |
| InChIKey |
RRXOQHQFJOQLQR-AATRIKPKSA-N |
| Molecular Weight |
208.257 g/mol |
| Number of Peaks |
50 |
| RI1 |
1576 |
| SMILES |
c1(c(cc(cc1OC)\C=C\C)OC)OC |
| SPLASH |
splash10-0a4l-4930000000-f77bf23979fb73da6c68 |
| 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 |
Benzene, 1,2,3-trimethoxy-5-(1E)-1-propen-1-yl- |
| Wiley ID |
LM_FFNSC3_2421 |
