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

*Links on SpectraBase are not permalinks.
Pimelic acid, 5-methoxy-3-phenylpentyl octyl ester
SpectraBase Compound ID BMSa60kezSN
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-14-21-31-26(28)17-12-9-13-18-27(29)32-23-20-25(19-22-30-2)24-15-10-8-11-16-24/h8,10-11,15-16,25H,3-7,9,12-14,17-23H2,1-2H3
InChIKey FAWMUTKACGYNGT-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C27H44O5
Exact Mass 448.318875 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 58UK7F7kRwd
Name Pimelic acid, 5-methoxy-3-phenylpentyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O5
InChI InChI=1S/C27H44O5/c1-3-4-5-6-7-14-21-31-26(28)17-12-9-13-18-27(29)32-23-20-25(19-22-30-2)24-15-10-8-11-16-24/h8,10-11,15-16,25H,3-7,9,12-14,17-23H2,1-2H3
InChIKey FAWMUTKACGYNGT-UHFFFAOYSA-N
Molecular Weight 448.644 g/mol
SMILES C(CCCCCC(OCCC(CCOC)c1ccccc1)=O)(OCCCCCCCC)=O
SPLASH splash10-002f-2900000000-2d6fc4da18f946b94efa
Source of Spectrum TIPS-2022-917-0
Wiley ID 1822434