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Pimelic acid, 2-chloro-5-methylphenyl tridecyl ester
SpectraBase Compound ID 4iYUuxHrAJI
InChI InChI=1S/C27H43ClO4/c1-3-4-5-6-7-8-9-10-11-12-16-21-31-26(29)17-14-13-15-18-27(30)32-25-22-23(2)19-20-24(25)28/h19-20,22H,3-18,21H2,1-2H3
InChIKey WIMXYOACEGXBKF-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQn3VGfef6q
Name Pimelic acid, 2-chloro-5-methylphenyl tridecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-3-4-5-6-7-8-9-10-11-12-16-21-31-26(29)17-14-13-15-18-27(30)32-25-22-23(2)19-20-24(25)28/h19-20,22H,3-18,21H2,1-2H3
InChIKey WIMXYOACEGXBKF-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(CCCCCC(Oc1cc(ccc1Cl)C)=O)(OCCCCCCCCCCCCC)=O
SPLASH splash10-002f-7901000000-b67e559b52a613604fc3
Source of Spectrum TIPS-2022-758-0
Wiley ID 1822275