| SpectraBase Spectrum ID |
HXUj4bZ7E3m |
| Name |
Heptanoate |
| Source of Sample |
SAFC Cat.no. W219908 |
| CAS Registry Number |
5454-28-4 |
| 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 |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3 |
| InChIKey |
YPQSPODHFDGVAC-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Number of Peaks |
50 |
| RI1 |
1292 |
| RI2 |
970 |
| RI3 |
920 |
| RI4 |
878 |
| RI5 |
1277 |
| SMILES |
C(OCCCC)(=O)CCCCCC |
| SPLASH |
splash10-0btc-9200000000-2b0ef4285098d8b12fa0 |
| 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, butyl ester |
| Wiley ID |
LM_FFNSC3_32 |
