| SpectraBase Spectrum ID |
5HiIwSkCucQ |
| Name |
Isopulegyl acetate |
| CAS Registry Number |
89-49-6 |
| 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 |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3 |
| InChIKey |
HLHIVJRLODSUCI-UHFFFAOYSA-N |
| Molecular Weight |
196.290 g/mol |
| Number of Peaks |
50 |
| RI1 |
1273 |
| RI2 |
951 |
| RI3 |
982 |
| RI4 |
940 |
| SMILES |
C(C)(=O)OC1CC(C)CCC1C(=C)C |
| SPLASH |
splash10-0006-9200000000-82ddd7be720b7ec8b3d7 |
| 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 |
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, acetate |
| Wiley ID |
LM_FFNSC3_643 |
