1,1'-Biphenyl-4-carboxylic acid, 4'-(decyloxy)-, [2-fluoro-4-[[(1-methylheptyl)oxy]carbonyl]phenyl] ester

SpectraBase Compound ID	JCYzb7tvcgo
InChI	InChI=1S/C38H49FO5/c1-4-6-8-10-11-12-13-15-27-42-34-24-21-31(22-25-34)30-17-19-32(20-18-30)37(40)44-36-26-23-33(28-35(36)39)38(41)43-29(3)16-14-9-7-5-2/h17-26,28-29H,4-16,27H2,1-3H3
InChIKey	XTZYLCSLEPJRMK-UHFFFAOYSA-N Google Search
Mol Weight	604.8 g/mol
Molecular Formula	C38H49FO5
Exact Mass	604.356403 g/mol

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SpectraBase Spectrum ID	IS3NsdaP2cZ
Name	1,1'-Biphenyl-4-carboxylic acid, 4'-(decyloxy)-, [2-fluoro-4-[[(1-methylheptyl)oxy]carbonyl]phenyl] ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	604.356402836 u
Formula	C38H49FO5
InChI	InChI=1S/C38H49FO5/c1-4-6-8-10-11-12-13-15-27-42-34-24-21-31(22-25-34)30-17-19-32(20-18-30)37(40)44-36-26-23-33(28-35(36)39)38(41)43-29(3)16-14-9-7-5-2/h17-26,28-29H,4-16,27H2,1-3H3
InChIKey	XTZYLCSLEPJRMK-UHFFFAOYSA-N
Molecular Weight	604.803 g/mol
SMILES	C(OC1=C(C=C(C=C1)C(OC(CCCCCC)C)=O)F)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)OCCCCCCCCCC