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Pimelic acid, 2-propylphenyl tetradecyl ester
SpectraBase Compound ID QIE6B47rK6
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-26-33-29(31)24-16-15-17-25-30(32)34-28-23-19-18-22-27(28)21-4-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3
InChIKey QLKFFLNKXOIXHS-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gHFkAzWHg
Name Pimelic acid, 2-propylphenyl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-11-12-13-14-20-26-33-29(31)24-16-15-17-25-30(32)34-28-23-19-18-22-27(28)21-4-2/h18-19,22-23H,3-17,20-21,24-26H2,1-2H3
InChIKey QLKFFLNKXOIXHS-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-054x-6900000000-4470c3f4a17b59462f85
Source of Spectrum TIPS-2022-419-0
Wiley ID 1821936