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Pimelic acid, 2-propylphenyl tridecyl ester
SpectraBase Compound ID 7xON6Jqx7Ut
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-19-25-32-28(30)23-15-14-16-24-29(31)33-27-22-18-17-21-26(27)20-4-2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3
InChIKey NAPCJYSDYPLGNM-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B454ncq4vAG
Name Pimelic acid, 2-propylphenyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-19-25-32-28(30)23-15-14-16-24-29(31)33-27-22-18-17-21-26(27)20-4-2/h17-18,21-22H,3-16,19-20,23-25H2,1-2H3
InChIKey NAPCJYSDYPLGNM-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-054x-6900000000-3ee1a3b6785563e6c7aa
Source of Spectrum TIPS-2022-418-0
Wiley ID 1821935