For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Pimelic acid, 4-biphenyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 4-biphenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 78pRhshSjXR
InChI InChI=1S/C25H32O4/c1-19(2)18-20(3)28-24(26)12-8-5-9-13-25(27)29-23-16-14-22(15-17-23)21-10-6-4-7-11-21/h4,6-7,10-11,14-17,19-20H,5,8-9,12-13,18H2,1-3H3
InChIKey IFLABSKIDOQPQB-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2j8IP17vhqT
Name Pimelic acid, 4-biphenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-19(2)18-20(3)28-24(26)12-8-5-9-13-25(27)29-23-16-14-22(15-17-23)21-10-6-4-7-11-21/h4,6-7,10-11,14-17,19-20H,5,8-9,12-13,18H2,1-3H3
InChIKey IFLABSKIDOQPQB-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCCCCC(Oc1ccc(cc1)-c1ccccc1)=O)(OC(CC(C)C)C)=O
SPLASH splash10-00di-3900000000-cd11f18a08cb49f52d50
Source of Spectrum TIPS-2022-558-0
Wiley ID 1822075