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2,3,6,7-Tetrahydro-8,8-dimethyl-2-(2,4-dimethoxyphenyl)-4H,8H-benzo[b,b']dipyran-4-one
SpectraBase Compound ID ALTa30YyRgf
InChI InChI=1S/C22H24O5/c1-22(2)8-7-13-9-16-17(23)11-20(26-21(16)12-18(13)27-22)15-6-5-14(24-3)10-19(15)25-4/h5-6,9-10,12,20H,7-8,11H2,1-4H3
InChIKey CACWOGLTMDSCFT-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C22H24O5
Exact Mass 368.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUhHdQfPQS2
Name 2,3,6,7-Tetrahydro-8,8-dimethyl-2-(2,4-dimethoxyphenyl)-4H,8H-benzo[B,B']dipyran-4-one
Comments Computed using HOSE algorithm
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)8-7-13-9-16-17(23)11-20(26-21(16)12-18(13)27-22)15-6-5-14(24-3)10-19(15)25-4/h5-6,9-10,12,20H,7-8,11H2,1-4H3
InChIKey CACWOGLTMDSCFT-UHFFFAOYSA-N
Molecular Weight 368.429 g/mol
SMILES C=12C(OC(CC2=O)C=2C(=CC(=CC2)OC)OC)=CC2=C(C1)CCC(O2)(C)C