| SpectraBase Spectrum ID |
BeiH9bsU8db |
| Name |
Isobaeckeol |
| CAS Registry Number |
98442-62-7 |
| 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 |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-7(2)12(15)11-9(14)6-10(16-4)8(3)13(11)17-5/h6-7,14H,1-5H3 |
| InChIKey |
YIQOFYKWUSYQAJ-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| Number of Peaks |
50 |
| RI1 |
1750 |
| SMILES |
Oc1cc(c(c(c1C(C(C)C)=O)OC)C)OC |
| SPLASH |
splash10-0002-4900000000-af1c852099e44d3b7d4e |
| 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-Propanone, 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)-2-methyl- |
| Wiley ID |
LM_FFNSC3_2609 |
