| SpectraBase Spectrum ID |
ALg2iVRIsDb |
| Name |
Diethylmalate |
| CAS Registry Number |
7554-12-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.084123546 u |
| Formula |
C8H14O5 |
| InChI |
InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3 |
| InChIKey |
VKNUORWMCINMRB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.195 g/mol |
| Nominal Mass |
190 u |
| Quality |
979 |
| Retention Index |
1304 |
| SMILES |
OC(C(OCC)=O)CC(OCC)=O |
| SPLASH |
splash10-01b9-9400000000-8f40de5c3a9a04c95e9e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diethyl 2-hydroxysuccinate
Diethyl malate
Diethyl 2-hydroxybutanedioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021711 |
