| SpectraBase Spectrum ID |
B5IeCZdtNlS |
| Name |
Methyl 2-isobutyryl-5-oxohexanoate |
| Appearance |
Yellowish liquid |
| Carrier Gas |
Helium (0.7 mL/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.120509056 u |
| Formula |
C11H18O4 |
| GC Column |
HP-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C11H18O4/c1-7(2)10(13)9(11(14)15-4)6-5-8(3)12/h7,9H,5-6H2,1-4H3 |
| InChIKey |
UJGVLCKFFNBKGG-UHFFFAOYSA-N |
| Inlet Type |
Split (90:1) |
| Instrument Name |
Agilent 7890A GC-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202300050 |
| Molecular Weight |
214.261 g/mol |
| Quality |
667 |
| Reported Formula |
C11H18O4 |
| SMILES |
CC(=O)CCC(C(=O)C(C)C)C(OC)=O |
| SPLASH |
splash10-006x-9400000000-5935ae255ad91f470802 |
| Source of Spectrum |
ASC-365-SM47-1b (DOI: 10.1002/adsc.202300050) |
| Thin-Layer Chromatography |
0.47 (silica gel 60, cyclohexane/EtOAc, 2:1) |
| Wiley ID |
1909655 |
