| SpectraBase Spectrum ID |
BcYIz1RwklB |
| Name |
iso-Methyl tetrahydroionyl acetate isomer I |
| CAS Registry Number |
60241-55-6 |
| 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 |
254.224580204 u |
| Formula |
C16H30O2 |
| InChI |
InChI=1S/C16H30O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h11-13,15H,7-10H2,1-6H3 |
| InChIKey |
URFHDVSDYWQMJU-UHFFFAOYSA-N |
| Molecular Weight |
254.414 g/mol |
| Number of Peaks |
50 |
| RI1 |
1616 |
| RI2 |
1295 |
| RI3 |
1261 |
| RI4 |
1219 |
| RI5 |
1607 |
| SMILES |
C(C)(=O)OC(C(CC1C(CCCC1(C)C)C)C)C |
| SPLASH |
splash10-0awc-9500000000-471cf3bd72688b122e04 |
| 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 |
Cyclohexanepropanol, a,b,2,6,6-pentamethyl-, 1-acetate |
| Wiley ID |
LM_FFNSC3_3253 |
