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Pimelic acid, 4-biphenyl heptyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-biphenyl heptyl ester
SpectraBase Compound ID 4Lmk5RkR9op
InChI InChI=1S/C26H34O4/c1-2-3-4-5-12-21-29-25(27)15-10-7-11-16-26(28)30-24-19-17-23(18-20-24)22-13-8-6-9-14-22/h6,8-9,13-14,17-20H,2-5,7,10-12,15-16,21H2,1H3
InChIKey IRNUNXNRVNUMCA-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GraXNrxoNB
Name Pimelic acid, 4-biphenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-2-3-4-5-12-21-29-25(27)15-10-7-11-16-26(28)30-24-19-17-23(18-20-24)22-13-8-6-9-14-22/h6,8-9,13-14,17-20H,2-5,7,10-12,15-16,21H2,1H3
InChIKey IRNUNXNRVNUMCA-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(CCCCCC(Oc1ccc(cc1)-c1ccccc1)=O)(OCCCCCCC)=O
SPLASH splash10-00di-3900000000-ae0201805c451b8e1915
Source of Spectrum TIPS-2022-560-0
Wiley ID 1822077