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Pimelic acid, 2-propylphenyl dodecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-propylphenyl dodecyl ester
SpectraBase Compound ID 8rQpXAcHLKJ
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-18-24-31-27(29)22-14-13-15-23-28(30)32-26-21-17-16-20-25(26)19-4-2/h16-17,20-21H,3-15,18-19,22-24H2,1-2H3
InChIKey ZAZXUTWEOPVDST-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 E9lFbuoEMH2
Name Pimelic acid, 2-propylphenyl dodecyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-18-24-31-27(29)22-14-13-15-23-28(30)32-26-21-17-16-20-25(26)19-4-2/h16-17,20-21H,3-15,18-19,22-24H2,1-2H3
InChIKey ZAZXUTWEOPVDST-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0553-5901000000-0f6a3b01216d761ca97c
Source of Spectrum TIPS-2022-417-0
Wiley ID 1821934