SpectraBase Spectrum ID |
1QFjMF2Qv0x |
Name |
Octa-(2E),6-dienoic acid <3,7-dimethyl-, 3-methylbutyl-> ester |
CAS Registry Number |
68133-73-3 |
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 |
238.193280075 u |
Formula |
C15H26O2 |
InChI |
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3/b14-11+ |
InChIKey |
UYYJNVGFCCTXSK-SDNWHVSQSA-N |
Molecular Weight |
238.371 g/mol |
Number of Peaks |
50 |
RI1 |
1648 |
RI2 |
1326 |
RI3 |
1368 |
RI4 |
1329 |
SMILES |
CC(CCOC(\C=C\(CCC=C(C)C)C)=O)C |
SPLASH |
splash10-0gi3-9500000000-a92a3b256996059b378c |
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 |
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)- |
Wiley ID |
LM_FFNSC3_1364 |