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Pimelic acid, 3-ethylphenyl tridecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3-ethylphenyl tridecyl ester
SpectraBase Compound ID RE3nogwHqm
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-17-23-31-27(29)21-15-14-16-22-28(30)32-26-20-18-19-25(4-2)24-26/h18-20,24H,3-17,21-23H2,1-2H3
InChIKey IVTOQASVFOKKIG-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 BWC21eBdtQa
Name Pimelic acid, 3-ethylphenyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-17-23-31-27(29)21-15-14-16-22-28(30)32-26-20-18-19-25(4-2)24-26/h18-20,24H,3-17,21-23H2,1-2H3
InChIKey IVTOQASVFOKKIG-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)CC)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-00fu-6900000000-d12fed32e84e85d5639f
Source of Spectrum TIPS-2022-497-0
Wiley ID 1822014