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1-(3,4-Dihydro-2,2-dimethyl-7-hydroxy-2H-1-benzopyran-6-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
SpectraBase Compound ID ApNPodaKMmE
InChI InChI=1S/C22H24O5/c1-22(2)10-9-15-12-16(18(24)13-20(15)27-22)17(23)7-5-14-6-8-19(25-3)21(11-14)26-4/h5-8,11-13,24H,9-10H2,1-4H3/b7-5+
InChIKey IGBSPAMSACGOKK-FNORWQNLSA-N
Mol Weight 368.43 g/mol
Molecular Formula C22H24O5
Exact Mass 368.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AOBaUHjZXj6
Name 1-(3,4-Dihydro-2,2-dimethyl-7-hydroxy-2H-1-benzopyran-6-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.162373868 u
Formula C22H24O5
InChI InChI=1S/C22H24O5/c1-22(2)10-9-15-12-16(18(24)13-20(15)27-22)17(23)7-5-14-6-8-19(25-3)21(11-14)26-4/h5-8,11-13,24H,9-10H2,1-4H3/b7-5+
InChIKey IGBSPAMSACGOKK-FNORWQNLSA-N
Molecular Weight 368.429 g/mol
SMILES C=1C2=C(C=C(O)C1C(=O)\C=C\C=1C=CC(=C(C1)OC)OC)OC(CC2)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941329