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 Google Search
Mol Weight	370.49 g/mol
Molecular Formula	C23H30O4
Exact Mass	370.214409 g/mol

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SpectraBase Spectrum ID	JljXJz5IW2V
Name	5-[(3',5'-Dimethoxyphenyl)pentyl] .alpha.-phenybutyrate
Comments	Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR)	0.874418