| SpectraBase Spectrum ID |
C8KaBtljR9C |
| Name |
Isobutyric acid |
| Source of Sample |
SAFC Cat. #W222216 |
| CAS Registry Number |
79-31-2 |
| Classification |
Preservative |
| 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 |
88.052429496 u |
| Formula |
C4H8O2 |
| InChI |
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey |
KQNPFQTWMSNSAP-UHFFFAOYSA-N |
| Molecular Weight |
88.106 g/mol |
| Number of Peaks |
23 |
| RI1 |
774 |
| SMILES |
OC(C(C)C)=O |
| SPLASH |
splash10-0006-9000000000-660f3da639795003aeb7 |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Propanoic acid, 2-methyl- |
| Wiley ID |
LM_PEST_1229 |
