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5-[(3',5'-Dimethoxyphenyl)pentyl] .alpha.-phenybutyrate

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5-[(3',5'-Dimethoxyphenyl)pentyl] .alpha.-phenybutyrate
SpectraBase Compound ID 2dTgTLeYC9W
InChI InChI=1S/C23H30O4/c1-4-22(19-12-8-5-9-13-19)23(24)27-14-10-6-7-11-18-15-20(25-2)17-21(16-18)26-3/h5,8-9,12-13,15-17,22H,4,6-7,10-11,14H2,1-3H3
InChIKey ZLQCTZUQKJCPRM-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID gr9Gin3AOk
Name 5-[(3',5'-Dimethoxyphenyl)pentyl] .alpha.-phenybutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-4-22(19-12-8-5-9-13-19)23(24)27-14-10-6-7-11-18-15-20(25-2)17-21(16-18)26-3/h5,8-9,12-13,15-17,22H,4,6-7,10-11,14H2,1-3H3
InChIKey ZLQCTZUQKJCPRM-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES C(C(C1=CC=CC=C1)CC)(=O)OCCCCCC=1C=C(OC)C=C(C1)OC