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Pimelic acid, 2,3,6-trichlorophenyl butyl ester
SpectraBase Compound ID 43RGwGquRZC
InChI InChI=1S/C17H21Cl3O4/c1-2-3-11-23-14(21)7-5-4-6-8-15(22)24-17-13(19)10-9-12(18)16(17)20/h9-10H,2-8,11H2,1H3
InChIKey FHYOBWAQSWUPGM-UHFFFAOYSA-N
Mol Weight 395.71 g/mol
Molecular Formula C17H21Cl3O4
Exact Mass 394.050542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gKB3g5w5zR
Name Pimelic acid, 2,3,6-trichlorophenyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21Cl3O4
InChI InChI=1S/C17H21Cl3O4/c1-2-3-11-23-14(21)7-5-4-6-8-15(22)24-17-13(19)10-9-12(18)16(17)20/h9-10H,2-8,11H2,1H3
InChIKey FHYOBWAQSWUPGM-UHFFFAOYSA-N
Molecular Weight 395.710 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OCCCC)=O
SPLASH splash10-004m-7900000000-1612b3f0523d50177366
Source of Spectrum TIPS-2022-583-0
Wiley ID 1822100