SpectraBase Spectrum ID |
LPZWNDPu850 |
Name |
Coniferan |
CAS Registry Number |
67874-72-0 |
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 |
212.177630011 u |
Formula |
C13H24O2 |
InChI |
InChI=1S/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3 |
InChIKey |
YEVACTAGDANHRH-UHFFFAOYSA-N |
Molecular Weight |
212.333 g/mol |
Number of Peaks |
50 |
RI1 |
1401 |
RI2 |
1080 |
RI3 |
1090 |
RI4 |
1048 |
SMILES |
C1CCC(C(C1)C(CC)(C)C)OC(C)=O |
SPLASH |
splash10-00ec-9100000000-7fbec0f1c735e9eb49fc |
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, 2-(1,1-dimethylpropyl)-, acetate |
Wiley ID |
LM_FFNSC3_1303 |