| SpectraBase Spectrum ID |
Dn6epHfTXsW |
| Name |
Ethyl citrate |
| CAS Registry Number |
77-93-0 |
| 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 |
276.120902977 u |
| Formula |
C12H20O7 |
| InChI |
InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3 |
| InChIKey |
DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
276.285 g/mol |
| Nominal Mass |
276 u |
| Quality |
1000 |
| Retention Index |
1616 |
| SMILES |
OC(C(OCC)=O)(CC(OCC)=O)CC(OCC)=O |
| SPLASH |
splash10-0a4i-2900000000-8e2637e8d8877d39d269 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026955 |
