| SpectraBase Spectrum ID |
KCcuAYevnu0 |
| Name |
Isopimpinellin |
| CAS Registry Number |
482-27-9 |
| 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 |
246.052823417 u |
| Formula |
C13H10O5 |
| InChI |
InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| InChIKey |
DFMAXQKDIGCMTL-UHFFFAOYSA-N |
| Molecular Weight |
246.218 g/mol |
| Number of Peaks |
50 |
| RI1 |
2239 |
| SMILES |
COc1c2c(c(OC)c3c1occ3)C=CC(O2)=O |
| SPLASH |
splash10-000t-5590000000-a99bb6c707ae1bb154a6 |
| 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 |
3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate |
| Wiley ID |
LM_FFNSC3_2963 |
