| SpectraBase Spectrum ID |
JJ53JxtUEQS |
| Name |
Diethylphthalate |
| CAS Registry Number |
84-66-2 |
| Classification |
Softener |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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 |
222.089208927 u |
| Formula |
C12H14O4 |
| InChI |
InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey |
FLKPEMZONWLCSK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.240 g/mol |
| Nominal Mass |
222 u |
| Quality |
1000 |
| Retention Index |
1564 |
| SMILES |
C=1(C(C(OCC)=O)=CC=CC1)C(OCC)=O |
| SPLASH |
splash10-0002-2900000000-fc40f99b0c01cc46fb57 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Diethylbenzene-1,2-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031211 |
