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Pimelic acid, 4-biphenyl hexyl ester
SpectraBase Compound ID DN8zke4uUIF
InChI InChI=1S/C25H32O4/c1-2-3-4-11-20-28-24(26)14-9-6-10-15-25(27)29-23-18-16-22(17-19-23)21-12-7-5-8-13-21/h5,7-8,12-13,16-19H,2-4,6,9-11,14-15,20H2,1H3
InChIKey BUZNUFALDUXHTH-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcSue1FZ6hC
Name Pimelic acid, 4-biphenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-2-3-4-11-20-28-24(26)14-9-6-10-15-25(27)29-23-18-16-22(17-19-23)21-12-7-5-8-13-21/h5,7-8,12-13,16-19H,2-4,6,9-11,14-15,20H2,1H3
InChIKey BUZNUFALDUXHTH-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCCCCC(Oc1ccc(cc1)-c1ccccc1)=O)(OCCCCCC)=O
SPLASH splash10-00di-1900000000-a3e5f453936cad4edf99
Source of Spectrum TIPS-2022-559-0
Wiley ID 1822076