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Virgatyne

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

Virgatyne
SpectraBase Compound ID Jq9rvAOwZMa
InChI InChI=1S/C19H16O6/c20-10-19(21,9-14-2-4-16-18(8-14)25-12-23-16)6-5-13-1-3-15-17(7-13)24-11-22-15/h1-4,7-8,20-21H,9-12H2
InChIKey LGCFSSZSOXPIJR-UHFFFAOYSA-N
Mol Weight 340.33 g/mol
Molecular Formula C19H16O6
Exact Mass 340.094688 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CYGgwcSTDMa
Name Virgatyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.094688229 u
Formula C19H16O6
InChI InChI=1S/C19H16O6/c20-10-19(21,9-14-2-4-16-18(8-14)25-12-23-16)6-5-13-1-3-15-17(7-13)24-11-22-15/h1-4,7-8,20-21H,9-12H2
InChIKey LGCFSSZSOXPIJR-UHFFFAOYSA-N
Molecular Weight 340.331 g/mol
SMILES C(O)C(O)(C#CC1=CC2=C(OCO2)C=C1)CC1=CC2=C(OCO2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968455