| SpectraBase Spectrum ID |
5wSi9CB0RR3 |
| Name |
Alpha iso-Methyl ionyl acetate, (E)- |
| CAS Registry Number |
68555-61-3 |
| 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 |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,10,13,15H,7,9H2,1-6H3/b12-10+ |
| InChIKey |
TYUPZTIJMKMYHL-ZRDIBKRKSA-N |
| Molecular Weight |
250.382 g/mol |
| Number of Peaks |
50 |
| RI1 |
1563 |
| RI2 |
1241 |
| RI3 |
1240 |
| RI4 |
1198 |
| RI5 |
1557 |
| SMILES |
C(C)(=O)OC(C)\C(=C\C1C(=CCCC1(C)C)C)C |
| SPLASH |
splash10-05nf-5900000000-10f3a7b9403ecdbf0d5f |
| 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-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate, (E)- |
| Wiley ID |
LM_FFNSC3_3250 |
