| SpectraBase Spectrum ID |
5isFBNkdc2i |
| Name |
Hexanoic acid |
| CAS Registry Number |
628-46-6 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChIKey |
MHPUGCYGQWGLJL-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
50 |
| RI1 |
1053 |
| RI2 |
726 |
| SMILES |
OC(CCCC(C)C)=O |
| SPLASH |
splash10-01vo-9000000000-95351d0ffd1afe3654a1 |
| 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 |
Hexanoic acid, 5-methyl- |
| Wiley ID |
LM_FFNSC3_1451 |
