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Lissoclinolide - diacetate

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

Lissoclinolide - diacetate
SpectraBase Compound ID 36HPXYUtdpe
InChI InChI=1S/C15H16O6/c1-11(16)19-8-4-3-7-14-10-13(15(18)21-14)6-5-9-20-12(2)17/h3-7,10H,8-9H2,1-2H3/b4-3+,6-5+,14-7+
InChIKey FVWMVZVXAYDSJR-MGVMIICLSA-N
Mol Weight 292.29 g/mol
Molecular Formula C15H16O6
Exact Mass 292.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KUCjR4LXR7e
Name Lissoclinolide - diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.094688229 u
Formula C15H16O6
InChI InChI=1S/C15H16O6/c1-11(16)19-8-4-3-7-14-10-13(15(18)21-14)6-5-9-20-12(2)17/h3-7,10H,8-9H2,1-2H3/b4-3+,6-5+,14-7+
InChIKey FVWMVZVXAYDSJR-MGVMIICLSA-N
Molecular Weight 292.287 g/mol
SMILES C1(C(=C\C(O1)=C/C=C/COC(=O)C)\C=C\COC(=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958139