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Pimelic acid, 4-biphenyl propyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-biphenyl propyl ester
SpectraBase Compound ID Bn2Y3ApQOyg
InChI InChI=1S/C22H26O4/c1-2-17-25-21(23)11-7-4-8-12-22(24)26-20-15-13-19(14-16-20)18-9-5-3-6-10-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12,17H2,1H3
InChIKey XKCLWVPZKNAIKW-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeRXgJS0FfO
Name Pimelic acid, 4-biphenyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-2-17-25-21(23)11-7-4-8-12-22(24)26-20-15-13-19(14-16-20)18-9-5-3-6-10-18/h3,5-6,9-10,13-16H,2,4,7-8,11-12,17H2,1H3
InChIKey XKCLWVPZKNAIKW-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(CCCCCC(Oc1ccc(cc1)-c1ccccc1)=O)(OCCC)=O
SPLASH splash10-00di-1900000000-f5f7990f5cd761e34eb4
Source of Spectrum TIPS-2022-554-0
Wiley ID 1822071