| SpectraBase Spectrum ID |
LNGAO8Wt5gO |
| Name |
Isobutyrate |
| Source of Sample |
SAFC Cat.no. W293601 |
| CAS Registry Number |
644-49-5 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey |
AZFUASHXSOTBNU-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
43 |
| RI1 |
850 |
| RI2 |
510 |
| RI3 |
452 |
| RI4 |
413 |
| SMILES |
CCCOC(C(C)C)=O |
| SPLASH |
splash10-0006-9000000000-981b74604a851bff9723 |
| 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-, propyl ester |
| Wiley ID |
LM_FFNSC3_282 |
