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Pimelic acid, 2,3,6-trichlorophenyl heptyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,6-trichlorophenyl heptyl ester
SpectraBase Compound ID 8PoeFT5sbbK
InChI InChI=1S/C20H27Cl3O4/c1-2-3-4-5-9-14-26-17(24)10-7-6-8-11-18(25)27-20-16(22)13-12-15(21)19(20)23/h12-13H,2-11,14H2,1H3
InChIKey FBAPNISEVFSONS-UHFFFAOYSA-N
Mol Weight 437.79 g/mol
Molecular Formula C20H27Cl3O4
Exact Mass 436.097492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nKGD41mJE
Name Pimelic acid, 2,3,6-trichlorophenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27Cl3O4
InChI InChI=1S/C20H27Cl3O4/c1-2-3-4-5-9-14-26-17(24)10-7-6-8-11-18(25)27-20-16(22)13-12-15(21)19(20)23/h12-13H,2-11,14H2,1H3
InChIKey FBAPNISEVFSONS-UHFFFAOYSA-N
Molecular Weight 437.791 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OCCCCCCC)=O
SPLASH splash10-002f-9810000000-81eb05c8f6d9dd3e4f0a
Source of Spectrum TIPS-2022-587-0
Wiley ID 1822104