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12-Benzoimidazol-1-yl-12,12-difluoro-10-iodododecanoic acid ethyl ester
SpectraBase Compound ID 7bmY22mQla
InChI InChI=1S/C21H29F2IN2O2/c1-2-28-20(27)14-8-6-4-3-5-7-11-17(24)15-21(22,23)26-16-25-18-12-9-10-13-19(18)26/h9-10,12-13,16-17H,2-8,11,14-15H2,1H3
InChIKey GZUGHWDQMWPJMY-UHFFFAOYSA-N
Mol Weight 506.38 g/mol
Molecular Formula C21H29F2IN2O2
Exact Mass 506.12418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxoexrXfloJ
Name 12-Benzoimidazol-1-yl-12,12-difluoro-10-iodododecanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29F2IN2O2
InChI InChI=1S/C21H29F2IN2O2/c1-2-28-20(27)14-8-6-4-3-5-7-11-17(24)15-21(22,23)26-16-25-18-12-9-10-13-19(18)26/h9-10,12-13,16-17H,2-8,11,14-15H2,1H3
InChIKey GZUGHWDQMWPJMY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030211023
Molecular Weight 506.376 g/mol
SMILES C(=O)(OCC)CCCCCCCCC(CC([n]1c2c(nc1)cccc2)(F)F)I
SPLASH splash10-05r0-4619200000-0deb618c6a595bec1cca
Source of Spectrum CJC-21-1354-8cc
Synonyms Ethyl 12-(1H-benzo[d]imidazol-1-yl)-12,12-difluoro-10-iodododecanoate
Wiley ID 1773694