SpectraBase Spectrum ID |
Ji6hg02sai8 |
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 |
1000 |
Retention Index |
1304 |
SMILES |
OC(C(OCC)=O)CC(OCC)=O |
SPLASH |
splash10-01b9-9500000000-c2cf2753dcc6a5b6e6d4 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Diethyl 2-hydroxysuccinate
Diethyl malate
Diethyl 2-hydroxybutanedioate |
Technique |
GC/MS |
Wiley ID |
DD2024_026926 |