| SpectraBase Spectrum ID |
I5nMXAVOQ7E |
| Name |
Hexanoic acid |
| Source of Sample |
SAFC Cat.no. W255912 |
| CAS Registry Number |
142-62-1 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) |
| InChIKey |
FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
49 |
| RI1 |
979 |
| RI2 |
651 |
| RI3 |
1459 |
| RI4 |
1418 |
| RI5 |
1070 |
| SMILES |
OC(CCCCC)=O |
| SPLASH |
splash10-03dl-9000000000-4fbbd9c5c2d1e3eda6d2 |
| 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 |
Caproic acid |
| Wiley ID |
LM_FFNSC3_1634 |
