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Troxerutin-artifact

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

Troxerutin-artifact
SpectraBase Compound ID LInL3V4PghZ
InChI InChI=1S/C23H26O11/c24-3-7-30-15-12-16(28)20-19(13-15)34-22(23(21(20)29)33-10-6-27)14-1-2-17(31-8-4-25)18(11-14)32-9-5-26/h1-2,6,11-13,22-26,28H,3-5,7-10H2
InChIKey PNZGVZLFDURXGX-UHFFFAOYSA-N
Mol Weight 478.45 g/mol
Molecular Formula C23H26O11
Exact Mass 478.147512 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9Ngu6o9ictU
Name Troxerutin-artifact
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.147511646 u
Formula C23H26O11
InChI InChI=1S/C23H26O11/c24-3-7-30-15-12-16(28)20-19(13-15)34-22(23(21(20)29)33-10-6-27)14-1-2-17(31-8-4-25)18(11-14)32-9-5-26/h1-2,6,11-13,22-26,28H,3-5,7-10H2
InChIKey PNZGVZLFDURXGX-UHFFFAOYSA-N
Molecular Weight 478.450 g/mol
SMILES Oc1cc(cc2OC(c3cc(OCCO)c(cc3)OCCO)C(C(c12)=O)OCC=O)OCCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911259