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Pimelic acid, 2,2-dichloroethyl heptadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,2-dichloroethyl heptadecyl ester
SpectraBase Compound ID InLu4gxSSVM
InChI InChI=1S/C26H48Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31-25(29)20-17-16-18-21-26(30)32-23-24(27)28/h24H,2-23H2,1H3
InChIKey XHFMFEYHSPSVKZ-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C26H48Cl2O4
Exact Mass 494.292965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8ml9QMOGXJ
Name Pimelic acid, 2,2-dichloroethyl heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48Cl2O4
InChI InChI=1S/C26H48Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31-25(29)20-17-16-18-21-26(30)32-23-24(27)28/h24H,2-23H2,1H3
InChIKey XHFMFEYHSPSVKZ-UHFFFAOYSA-N
Molecular Weight 495.572 g/mol
SMILES C(CCCCCC(OCC(Cl)Cl)=O)(OCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9520000000-e9ef3b32860eeeb7bc37
Source of Spectrum TIPS-2022-907-0
Wiley ID 1822424