SpectraBase Spectrum ID |
El2013gRaeg |
Name |
Nonadienyl tiglate, (2E,6Z)- |
CAS Registry Number |
1231959-62-8 |
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 |
222.161979946 u |
Formula |
C14H22O2 |
InChI |
InChI=1S/C14H22O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5-7,10-11H,4,8-9,12H2,1-3H3/b7-6-,11-10+,13-5+ |
InChIKey |
VHNOJILUOLCOBW-YCOVTVMBSA-N |
Molecular Weight |
222.328 g/mol |
Number of Peaks |
48 |
RI1 |
1629 |
RI2 |
1308 |
RI3 |
1440 |
RI4 |
1400 |
RI5 |
1606 |
SMILES |
C\C(C(=O)OC\C=C\CC\C=C/CC)=C/C |
SPLASH |
splash10-05o3-9000000000-f0cfc0e2573a12ccd33d |
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-Butenoic acid, 2-methyl-, (2E,6Z)-2,6-nonadien-1-yl ester, (2E)- |
Wiley ID |
LM_FFNSC3_3423 |