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Pimelic acid, 2,3-dimethylphenyl tridecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3-dimethylphenyl tridecyl ester
SpectraBase Compound ID G9sihidtYsT
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-17-23-31-27(29)21-15-14-16-22-28(30)32-26-20-18-19-24(2)25(26)3/h18-20H,4-17,21-23H2,1-3H3
InChIKey NYLHAZNKUFJQHY-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 78k6mFGnUWW
Name Pimelic acid, 2,3-dimethylphenyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-17-23-31-27(29)21-15-14-16-22-28(30)32-26-20-18-19-24(2)25(26)3/h18-20H,4-17,21-23H2,1-3H3
InChIKey NYLHAZNKUFJQHY-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCC(Oc1cccc(c1C)C)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-00di-5900000000-dcd8ccc666540d27f91a
Source of Spectrum TIPS-2022-482-0
Wiley ID 1821999