| SpectraBase Spectrum ID |
C2C4KbTZXOq |
| Name |
Isobutyrate |
| Source of Sample |
SAFC Cat.no. W350702 |
| CAS Registry Number |
2050-01-3 |
| 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 |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey |
VFTGLSWXJMRZNB-UHFFFAOYSA-N |
| Molecular Weight |
158.241 g/mol |
| Number of Peaks |
50 |
| RI1 |
1014 |
| RI2 |
685 |
| RI3 |
606 |
| RI4 |
547 |
| RI5 |
1001 |
| SMILES |
C(C(C)C)(=O)OCCC(C)C |
| SPLASH |
splash10-006x-9000000000-3801bb74d307744cbd78 |
| 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 |
Propanoic acid, 2-methyl-, 3-methylbutyl ester |
| Wiley ID |
LM_FFNSC3_676 |
