| SpectraBase Spectrum ID |
9X0thDyLrAe |
| Name |
Heptanal |
| Source of Sample |
SAFC Cat. #W254002 |
| CAS Registry Number |
111-71-7 |
| Classification |
Fatty aldehydes |
| 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 |
114.104465070 u |
| Formula |
C7H14O |
| InChI |
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| InChIKey |
FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| Molecular Weight |
114.188 g/mol |
| Number of Peaks |
50 |
| RI1 |
880 |
| RI2 |
598 |
| RI4 |
906 |
| RI5 |
576 |
| SMILES |
C(CCCCCC)=O |
| SPLASH |
splash10-0006-9000000000-8e5bafba419a0081c120 |
| 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 |
Heptanal |
| Wiley ID |
LM_LIPIDS2016_354 |
