| SpectraBase Spectrum ID |
IENT7WPS2r2 |
| Name |
Isovaleric acid |
| Source of Sample |
SAFC Cat.no. W310204 |
| CAS Registry Number |
503-74-2 |
| 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 |
102.068079560 u |
| Formula |
C5H10O2 |
| InChI |
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey |
GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Molecular Weight |
102.133 g/mol |
| Number of Peaks |
28 |
| RI1 |
842 |
| RI2 |
501 |
| RI5 |
908 |
| SMILES |
OC(CC(C)C)=O |
| SPLASH |
splash10-01ox-9000000000-f128abd7b3155e1404a8 |
| 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 |
Butanoic acid, 3-methyl- |
| Wiley ID |
LM_FFNSC3_650 |
