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3-Cyclohexylpropionic acid 4,4-difluoro-4-imidazol-1-yl-2-iodobutyl ester
SpectraBase Compound ID 26S7H0raRiB
InChI InChI=1S/C16H23F2IN2O2/c17-16(18,21-9-8-20-12-21)10-14(19)11-23-15(22)7-6-13-4-2-1-3-5-13/h8-9,12-14H,1-7,10-11H2
InChIKey RLKPMMBFINGNSJ-UHFFFAOYSA-N
Mol Weight 440.27 g/mol
Molecular Formula C16H23F2IN2O2
Exact Mass 440.077229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xOvI5Ed6G
Name 3-Cyclohexylpropionic acid 4,4-difluoro-4-imidazol-1-yl-2-iodobutyl ester
Alternate Name(s) 4,4-Difluoro-4-(1H-imidazol-1-yl)-2-iodobutyl 3-cyclohexylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23F2IN2O2
InChI InChI=1S/C16H23F2IN2O2/c17-16(18,21-9-8-20-12-21)10-14(19)11-23-15(22)7-6-13-4-2-1-3-5-13/h8-9,12-14H,1-7,10-11H2
InChIKey RLKPMMBFINGNSJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030211023
Molecular Weight 440.273 g/mol
SMILES C(=O)(OCC(CC([n]1ccnc1)(F)F)I)CCC1CCCCC1
SPLASH splash10-0bt9-7918000000-e1ff961f86b2e63c21a6
Source of Spectrum CJC-21-1353-8ad
Wiley ID 1773687