| SpectraBase Spectrum ID |
4UhRlaACgku |
| Name |
O1-ethyl O4-methyl 2-benzoyl-3-(cyclohexylmethyl)butanedioate |
| Appearance |
Pale yellow oily liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O5 |
| InChI |
InChI=1S/C21H28O5/c1-3-26-21(24)18(19(22)16-12-8-5-9-13-16)17(20(23)25-2)14-15-10-6-4-7-11-15/h5,8-9,12-13,15,17-18H,3-4,6-7,10-11,14H2,1-2H3 |
| InChIKey |
OSLPJVAITFVWNO-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
360.450 g/mol |
| Reported Formula |
C22H31O5 |
| SMILES |
C(CC1CCCCC1)(C(C(=O)c1ccccc1)C(=O)OCC)C(OC)=O |
| SPLASH |
splash10-0a4i-0900000000-b69fe1b6a926bb5ac6f6 |
| Sample Comments |
dr = 1.1:1 |
| Source of Spectrum |
CN108640839A |
| Wiley ID |
1872452 |
