| SpectraBase Spectrum ID |
2owuIkoFpeS |
| Name |
1,4-Benzenedicarboxylicacid ethyl methyl ester |
| CAS Registry Number |
22163-52-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.073558862 u |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-3-15-11(13)9-6-4-8(5-7-9)10(12)14-2/h4-7H,3H2,1-2H3 |
| InChIKey |
SGPZSOQUJLFTMQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.213 g/mol |
| Nominal Mass |
208 u |
| Quality |
999 |
| Retention Index |
1497 |
| SMILES |
C1(C(OCC)=O)=CC=C(C(OC)=O)C=C1 |
| SPLASH |
splash10-03fs-3900000000-20cd0496edbc93140905 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethyl methyl benzene-1,4-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028045 |
