| SpectraBase Spectrum ID |
8KB6ouno9Fw |
| Name |
Cantharidinic acid dimethyl ester |
| Classification |
Vesicant derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
242.115423675 u |
| Formula |
C12H18O5 |
| InChI |
InChI=1S/C12H18O5/c1-11(9(13)15-3)7-5-6-8(17-7)12(11,2)10(14)16-4/h7-8H,5-6H2,1-4H3 |
| InChIKey |
DGRSWQVTODZUOL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.271 g/mol |
| Nominal Mass |
242 u |
| Quality |
948 |
| Retention Index |
1763 |
| SMILES |
C1(C(C2OC1CC2)(C(OC)=O)C)(C(OC)=O)C |
| SPLASH |
splash10-0006-6900000000-f7656b05ab408df536e3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dimethyl 2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000430 |
