| SpectraBase Spectrum ID |
AOtGjDBpujY |
| Name |
Isobutyrate |
| CAS Registry Number |
36438-54-7 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-8(2)11(12)13-10-7-5-4-6-9(10)3/h4-8H,1-3H3 |
| InChIKey |
FDJBDZVTTXWIQM-UHFFFAOYSA-N |
| Molecular Weight |
178.231 g/mol |
| Number of Peaks |
50 |
| RI1 |
1279 |
| RI2 |
957 |
| RI3 |
1149 |
| RI4 |
1108 |
| RI5 |
1260 |
| SMILES |
c1ccc(c(c1)OC(=O)C(C)C)C |
| SPLASH |
splash10-0596-9400000000-118baf018ae1afe1b870 |
| 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-, 2-methylphenyl ester |
| Wiley ID |
LM_FFNSC3_740 |
