| SpectraBase Spectrum ID |
JGYaOUyYNVo |
| Name |
Methyl 3-(1,3-benzodioxol-5-yl)-2-methyl-3-oxo propanoate |
| CAS Registry Number |
218934-11-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.068473481 u |
| Formula |
C12H12O5 |
| InChI |
InChI=1S/C12H12O5/c1-7(12(14)15-2)11(13)8-3-4-9-10(5-8)17-6-16-9/h3-5,7H,6H2,1-2H3 |
| InChIKey |
PLPJQKKNIOKFLQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.223 g/mol |
| Nominal Mass |
236 u |
| Quality |
995 |
| Retention Index |
1735 |
| SMILES |
C=1(C(C(C(OC)=O)C)=O)C=C2C(=CC1)OCO2 |
| SPLASH |
splash10-0002-3910000000-bfe4c7415ea886f432fc |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl 2-[1,3-benzodioxol-5-yl(hydroxy)methyl]acrylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024465 |
