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Pimelic acid, 2-ethylphenyl tridecyl ester
SpectraBase Compound ID A2IJ8zuM4cx
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-19-24-31-27(29)22-15-14-16-23-28(30)32-26-21-18-17-20-25(26)4-2/h17-18,20-21H,3-16,19,22-24H2,1-2H3
InChIKey JVISRWNXRZYEHY-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXtB3tW4Ixw
Name Pimelic acid, 2-ethylphenyl tridecyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-19-24-31-27(29)22-15-14-16-23-28(30)32-26-21-18-17-20-25(26)4-2/h17-18,20-21H,3-16,19,22-24H2,1-2H3
InChIKey JVISRWNXRZYEHY-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CC)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-05bf-7900000000-bd936e910362ca9b4a8c
Source of Spectrum TIPS-2022-434-0
Wiley ID 1821951