| SpectraBase Spectrum ID |
1bnWEyXmWXC |
| Name |
Pentanoate |
| Source of Sample |
SAFC Cat.no. W221708 |
| CAS Registry Number |
591-68-4 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-5-7-9(10)11-8-6-4-2/h3-8H2,1-2H3 |
| InChIKey |
OKJADYKTJJGKDX-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1099 |
| RI2 |
774 |
| RI3 |
718 |
| RI4 |
673 |
| RI5 |
1078 |
| SMILES |
C(CCCC)(=O)OCCCC |
| SPLASH |
splash10-0a4i-9100000000-d8ac03e84e92cf45d592 |
| 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 |
Pentanoic acid, butyl ester |
| Wiley ID |
LM_FFNSC3_1135 |
