| SpectraBase Spectrum ID |
I7DvrJOHr3g |
| Name |
Butanoic acid <1-methyl-, 2-oxopropyl-> ester |
| Source of Sample |
SAFC Cat.no. W333204 |
| CAS Registry Number |
84642-61-5 |
| 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 |
158.094294308 u |
| Formula |
C8H14O3 |
| InChI |
InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3 |
| InChIKey |
LJDWJXUIGKSETE-UHFFFAOYSA-N |
| Molecular Weight |
158.197 g/mol |
| Number of Peaks |
42 |
| RI1 |
1066 |
| RI2 |
739 |
| RI3 |
925 |
| RI4 |
881 |
| SMILES |
C(CCC)(=O)OC(C)C(C)=O |
| SPLASH |
splash10-006x-9000000000-daf85702d2bf3d923e2c |
| 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, 1-methyl-2-oxopropyl ester |
| Wiley ID |
LM_FFNSC3_1140 |
