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Candidin

View entire compound with spectra: 3 NMR, and 1 FTIR

Candidin
SpectraBase Compound ID 3CMQ5K4DHl9
InChI InChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey DPAGRPSAFDXQDN-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 63py1DQfNNX
Name Candidin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.120509056 u
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-21(2)10-9-14-17(25-21)12-18(23-3)19-15(22)11-16(24-20(14)19)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey DPAGRPSAFDXQDN-UHFFFAOYSA-N
Molecular Weight 334.371 g/mol
SMILES C1(=O)C=C(C2=CC=CC=C2)OC=2C1=C(C=C1C2C=CC(O1)(C)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917737