| SpectraBase Spectrum ID |
IxAzw6oG9iI |
| Name |
Butanoic acid ester |
| CAS Registry Number |
84642-60-4 |
| 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 |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+ |
| InChIKey |
GPINUUWEKPNDBB-CMDGGOBGSA-N |
| Molecular Weight |
198.306 g/mol |
| Number of Peaks |
50 |
| RI1 |
1389 |
| RI2 |
1068 |
| SMILES |
C(CCC\C=C\COC(CCC)=O)C |
| SPLASH |
splash10-00dl-9000000000-9997e2d886bc09a38638 |
| 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 |
Butanoic acid, (2E)-2-octenyl ester |
| Wiley ID |
LM_FFNSC3_1458 |
