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6H-dibenzo[b,d]pyran-6-one, 3-[(4-fluorophenyl)methoxy]-2-hexyl-7,8,9,10-tetrahydro-
SpectraBase Compound ID 3we3MVXI6HN
InChI InChI=1S/C26H29FO3/c1-2-3-4-5-8-19-15-23-21-9-6-7-10-22(21)26(28)30-25(23)16-24(19)29-17-18-11-13-20(27)14-12-18/h11-16H,2-10,17H2,1H3
InChIKey BMCVZBHPZXRKML-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C26H29FO3
Exact Mass 408.210073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 356X59CAsBZ
Name 6H-Dibenzo[B,D]pyran-6-one, 3-[(4-fluorophenyl)methoxy]-2-hexyl-7,8,9,10-tetrahydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.210072954 u
Formula C26H29FO3
InChI InChI=1S/C26H29FO3/c1-2-3-4-5-8-19-15-23-21-9-6-7-10-22(21)26(28)30-25(23)16-24(19)29-17-18-11-13-20(27)14-12-18/h11-16H,2-10,17H2,1H3
InChIKey BMCVZBHPZXRKML-UHFFFAOYSA-N
Molecular Weight 408.513 g/mol
SMILES C1=2C=3C(=CC(=C(C3)CCCCCC)OCC=3C=CC(=CC3)F)OC(C2CCCC1)=O