SpectraBase Spectrum ID |
7DOEdtl04aW |
Name |
Nonacosanoate |
CAS Registry Number |
4082-55-7 |
Classification |
Fatty esters; Fatty acid methyl esters |
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 |
452.459331170 u |
Formula |
C30H60O2 |
InChI |
InChI=1S/C30H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32-2/h3-29H2,1-2H3 |
InChIKey |
WGNBXLBBAVTMCK-UHFFFAOYSA-N |
Molecular Weight |
452.808 g/mol |
Number of Peaks |
50 |
RI4 |
3233 |
RI5 |
2843 |
SMILES |
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)OC |
SPLASH |
splash10-05g0-9200100000-cb61c02eaa8607f6b675 |
Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
Nonacosanoic acid, methyl ester
Me. C29:0 |
Wiley ID |
LM_LIPIDS2016_177 |