| SpectraBase Spectrum ID |
822zIBk2WZ |
| Name |
Isohexanoic acid |
| CAS Registry Number |
646-07-1 |
| 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/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey |
FGKJLKRYENPLQH-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
36 |
| RI1 |
986 |
| RI2 |
658 |
| SMILES |
OC(CCC(C)C)=O |
| SPLASH |
splash10-0abc-9000000000-b435a0e950aaa2f2408c |
| 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, 4-methyl- |
| Wiley ID |
LM_FFNSC3_719 |
