SpectraBase Spectrum ID |
HMBMVSjRKHP |
Name |
Isobutyrate |
Source of Sample |
SAFC Cat.no. W218804 |
CAS Registry Number |
97-87-0 |
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 |
144.115029753 u |
Formula |
C8H16O2 |
InChI |
InChI=1S/C8H16O2/c1-4-5-6-10-8(9)7(2)3/h7H,4-6H2,1-3H3 |
InChIKey |
JSLCOZYBKYHZNL-UHFFFAOYSA-N |
Molecular Weight |
144.214 g/mol |
Number of Peaks |
50 |
RI1 |
953 |
RI2 |
628 |
RI3 |
548 |
RI4 |
495 |
SMILES |
CCCCOC(C(C)C)=O |
SPLASH |
splash10-059f-9000000000-0ad65047112463fec1d7 |
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-, butyl ester |
Wiley ID |
LM_FFNSC3_136 |