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Pimelic acid, 2,2-dichloroethyl hexadecyl ester
SpectraBase Compound ID 93LdnOXCux9
InChI InChI=1S/C25H46Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-24(28)19-16-15-17-20-25(29)31-22-23(26)27/h23H,2-22H2,1H3
InChIKey LLOPBLJAWQLETC-UHFFFAOYSA-N
Mol Weight 481.5 g/mol
Molecular Formula C25H46Cl2O4
Exact Mass 480.277315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ANmjceCaJn
Name Pimelic acid, 2,2-dichloroethyl hexadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H46Cl2O4
InChI InChI=1S/C25H46Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30-24(28)19-16-15-17-20-25(29)31-22-23(26)27/h23H,2-22H2,1H3
InChIKey LLOPBLJAWQLETC-UHFFFAOYSA-N
Molecular Weight 481.545 g/mol
SMILES C(CCCCCC(OCC(Cl)Cl)=O)(OCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9520000000-f2861218902f77942b4c
Source of Spectrum TIPS-2022-906-0
Wiley ID 1822423