SpectraBase Spectrum ID |
EJlaNakDsA3 |
Name |
Dihydro citronellol acetate |
CAS Registry Number |
20780-49-8 |
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 |
200.177630011 u |
Formula |
C12H24O2 |
InChI |
InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3 |
InChIKey |
XFPXWDJICXBWRU-UHFFFAOYSA-N |
Molecular Weight |
200.322 g/mol |
Number of Peaks |
50 |
RI1 |
1319 |
RI2 |
1000 |
RI3 |
1208 |
RI4 |
1164 |
RI5 |
1308 |
SMILES |
C(C)(=O)OCCC(CCCC(C)C)C |
SPLASH |
splash10-0abc-9000000000-5624ee02f5a19312d8ae |
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 |
1-Octanol, 3,7-dimethyl-, 1-acetate |
Wiley ID |
LM_FFNSC3_2712 |