| SpectraBase Spectrum ID |
7TufL4Id2qL |
| Name |
Homomethyl acetate isomer I |
| CAS Registry Number |
67859-96-5 |
| 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 |
184.146329882 u |
| Formula |
C11H20O2 |
| InChI |
InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3 |
| InChIKey |
OIVWFAFCHQDCCG-UHFFFAOYSA-N |
| Molecular Weight |
184.279 g/mol |
| Number of Peaks |
50 |
| RI1 |
1177 |
| RI2 |
855 |
| RI3 |
835 |
| RI4 |
789 |
| RI5 |
1162 |
| SMILES |
C(C)(=O)OC1CC(CC(C1)C)(C)C |
| SPLASH |
splash10-0aou-9500000000-afa3d6b3514df5ce7a6e |
| 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, 3,3,5-trimethyl-, 1-acetate |
| Wiley ID |
LM_FFNSC3_3232 |
