| SpectraBase Spectrum ID |
LT6wGcCVJ54 |
| Name |
Heptyl acetate |
| Source of Sample |
SAFC Cat.no. W254703 |
| CAS Registry Number |
112-06-1 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3 |
| InChIKey |
ZCZSIDMEHXZRLG-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1114 |
| RI2 |
790 |
| RI3 |
781 |
| RI4 |
735 |
| RI5 |
1098 |
| SMILES |
CC(OCCCCCCC)=O |
| SPLASH |
splash10-052f-9000000000-d0ad7f3348507e05fff5 |
| 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 |
Acetic acid, heptyl ester |
| Wiley ID |
LM_FFNSC3_218 |
