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Pimelic acid, hept-3-yl tridecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, hept-3-yl tridecyl ester
SpectraBase Compound ID FRlsOF9AUdW
InChI InChI=1S/C27H52O4/c1-4-7-9-10-11-12-13-14-15-16-20-24-30-26(28)22-18-17-19-23-27(29)31-25(6-3)21-8-5-2/h25H,4-24H2,1-3H3
InChIKey ZPYOVQFMFITZJK-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2Mr7jsp71t
Name Pimelic acid, hept-3-yl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-4-7-9-10-11-12-13-14-15-16-20-24-30-26(28)22-18-17-19-23-27(29)31-25(6-3)21-8-5-2/h25H,4-24H2,1-3H3
InChIKey ZPYOVQFMFITZJK-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(CCCCCC(OCCCCCCCCCCCCC)=O)(OC(CCCC)CC)=O
SPLASH splash10-0006-6900000000-976a1b6b25832d967c8f
Source of Spectrum TIPS-2022-1025-0
Wiley ID 1822542