| SpectraBase Spectrum ID |
49gmH6xjkZw |
| Name |
Heptyl acetate <2-> |
| CAS Registry Number |
5921-82-4 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3 |
| InChIKey |
VJYWBLDDQZIGJI-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
42 |
| RI1 |
1041 |
| SMILES |
C(=O)(OC(CCCCC)C)C |
| SPLASH |
splash10-0006-9000000000-9b6f94f24f68f4e49394 |
| 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 |
2-Heptanol, 2-acetate |
| Wiley ID |
LM_FFNSC3_2417 |
