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(E)-1-(5,8-dihydroxy-2,2-dimethyl-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one
SpectraBase Compound ID HcGgYKlDVRA
InChI InChI=1S/C20H18O4/c1-20(2)11-10-14-18(23)15(12-17(22)19(14)24-20)16(21)9-8-13-6-4-3-5-7-13/h3-12,22-23H,1-2H3/b9-8+
InChIKey HZEJNIAQUFJSBF-CMDGGOBGSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fkhj6vVD3eL
Name (E)-1-(5,8-Dihydroxy-2,2-dimethyl-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.120509056 u
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-20(2)11-10-14-18(23)15(12-17(22)19(14)24-20)16(21)9-8-13-6-4-3-5-7-13/h3-12,22-23H,1-2H3/b9-8+
InChIKey HZEJNIAQUFJSBF-CMDGGOBGSA-N
Molecular Weight 322.360 g/mol
SMILES C=12C(OC(C=C2)(C)C)=C(O)C=C(C1O)C(\C=C\C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953294