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Isounonal, 2me derivative

View entire compound with spectra: 1 FTIR

Isounonal, 2me derivative
SpectraBase Compound ID 6wIjSoBbv7Y
InChI InChI=1S/C19H16O5/c1-11-17(22-2)13(10-20)19-16(18(11)23-3)14(21)9-15(24-19)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey FVNNGCDWSCPIGU-UHFFFAOYSA-N
Mol Weight 324.33 g/mol
Molecular Formula C19H16O5
Exact Mass 324.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 46ZiNb3Xt3f
Name Isounonal, 2me derivative
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 324.099773610 u
Formula C19H16O5
InChI InChI=1S/C19H16O5/c1-11-17(22-2)13(10-20)19-16(18(11)23-3)14(21)9-15(24-19)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey FVNNGCDWSCPIGU-UHFFFAOYSA-N
Molecular Weight 324.332 g/mol
SMILES C1(=CC(C2=C(C(=C(C(=C2O1)C=O)OC)C)OC)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927637