| SpectraBase Spectrum ID |
CKO4NV3jaRV |
| Name |
2,2,4-Trimethyl-3-(carboxyisopropyl)pentanoic acid isobutyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
286.214409442 u |
| Formula |
C16H30O4 |
| InChI |
InChI=1S/C16H30O4/c1-10(2)9-19-15(18)16(7,8)13(11(3)4)14(17)20-12(5)6/h10-13H,9H2,1-8H3 |
| InChIKey |
JIYRKVLLOCBJHR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
286.412 g/mol |
| Nominal Mass |
286 u |
| Quality |
996 |
| Retention Index |
1996 |
| SMILES |
C(C(C(OC(C)C)=O)C(C)C)(C(OCC(C)C)=O)(C)C |
| SPLASH |
splash10-00dl-9100000000-dcc65299c94499daf23e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylpropyl propan-2-yl 2,2-dimethyl-3-(propan-2-yl)butanedioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006990 |
