| SpectraBase Spectrum ID |
Aj7xserdwkC |
| Name |
(E)-2-Butenedioic acid dimethyl ester |
| CAS Registry Number |
624-49-7 |
| 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 |
144.042258734 u |
| Formula |
C6H8O4 |
| InChI |
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+ |
| InChIKey |
LDCRTTXIJACKKU-ONEGZZNKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
144.126 g/mol |
| Nominal Mass |
144 u |
| Quality |
995 |
| Retention Index |
983 |
| SMILES |
C(\C=C\C(OC)=O)(OC)=O |
| SPLASH |
splash10-03di-8900000000-2c3bb38946b1b8eedf9b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dimethyl fumarate
dimethyl (2E)-but-2-enedioate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031214 |
