For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Cantharidinic acid dimethyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Cantharidinic acid dimethyl ester
SpectraBase Compound ID KFuEKLySeqD
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
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6DFQcqSL5WC
Name Cantharidinic acid dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 242.271 g/mol
SMILES C1(C(C2OC1CC2)(C(OC)=O)C)(C(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935975