| SpectraBase Spectrum ID |
INYC0VP0GQT |
| Name |
3-Hydroxy-3-methyl-2-oxopentyl benzoate |
| Appearance |
Colorless oil |
| Carrier Gas |
helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| GC Oven Program |
Oven temp 250oC |
| InChI |
InChI=1S/C13H16O4/c1-3-13(2,16)11(14)9-17-12(15)10-7-5-4-6-8-10/h4-8,16H,3,9H2,1-2H3 |
| InChIKey |
JRKFKRMROUTRLH-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901226 |
| Molecular Weight |
236.267 g/mol |
| Quality |
162 |
| SMILES |
OC(CC)(C)C(COC(=O)C1=CC=CC=C1)=O |
| SPLASH |
splash10-0a4i-9700000000-1f0033d745f9a23d06a6 |
| Source of Spectrum |
K1-2019-SM5-3b (DOI: 10.1002/ejoc.201901226) |
| Wiley ID |
1892270 |
