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Pimelic acid, 2-ethylphenyl tetradecyl ester
SpectraBase Compound ID HeuzzkU0P8m
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-25-32-28(30)23-16-15-17-24-29(31)33-27-22-19-18-21-26(27)4-2/h18-19,21-22H,3-17,20,23-25H2,1-2H3
InChIKey LXTIQAFVUZJOJU-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lFUHmhe7Jx
Name Pimelic acid, 2-ethylphenyl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-25-32-28(30)23-16-15-17-24-29(31)33-27-22-19-18-21-26(27)4-2/h18-19,21-22H,3-17,20,23-25H2,1-2H3
InChIKey LXTIQAFVUZJOJU-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-05bf-6900000000-94ea579408452728c8e5
Source of Spectrum TIPS-2022-435-0
Wiley ID 1821952