| SpectraBase Spectrum ID |
4Bdtj7SzZPc |
| Name |
Heptanoate |
| Source of Sample |
SAFC Cat.no. W270512 |
| CAS Registry Number |
106-73-0 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| InChI |
InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3 |
| InChIKey |
XNCNNDVCAUWAIT-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Number of Peaks |
50 |
| RI1 |
1025 |
| RI2 |
696 |
| RI3 |
695 |
| RI4 |
649 |
| SMILES |
C(CCCCCC)(=O)OC |
| SPLASH |
splash10-00dl-9000000000-811f5635a73bf6b9f7b5 |
| 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 |
Heptanoic acid, methyl ester |
| Wiley ID |
LM_FFNSC3_754 |
