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Pimelic acid, 4-biphenyl isobutyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-biphenyl isobutyl ester
SpectraBase Compound ID 4Hm4MBH2W4U
InChI InChI=1S/C23H28O4/c1-18(2)17-26-22(24)11-7-4-8-12-23(25)27-21-15-13-20(14-16-21)19-9-5-3-6-10-19/h3,5-6,9-10,13-16,18H,4,7-8,11-12,17H2,1-2H3
InChIKey OAXXSPWPCDNYKG-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3C58F4aL4KQ
Name Pimelic acid, 4-biphenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-18(2)17-26-22(24)11-7-4-8-12-23(25)27-21-15-13-20(14-16-21)19-9-5-3-6-10-19/h3,5-6,9-10,13-16,18H,4,7-8,11-12,17H2,1-2H3
InChIKey OAXXSPWPCDNYKG-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C(CCCCCC(Oc1ccc(cc1)-c1ccccc1)=O)(OCC(C)C)=O
SPLASH splash10-00di-2900000000-9d2b96b7dffd57daa873
Source of Spectrum TIPS-2022-555-0
Wiley ID 1822072