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3-Cyclohexylpropionic acid 4,4-difluoro-2-iodo-4-(2-methylimidazol-1-yl) butyl ester
SpectraBase Compound ID HCWiXTyz1bF
InChI InChI=1S/C17H25F2IN2O2/c1-13-21-9-10-22(13)17(18,19)11-15(20)12-24-16(23)8-7-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKey NVVNAGHXPGTSMQ-UHFFFAOYSA-N
Mol Weight 454.3 g/mol
Molecular Formula C17H25F2IN2O2
Exact Mass 454.092879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4h7dWArK1w
Name 3-Cyclohexylpropionic acid 4,4-difluoro-2-iodo-4-(2-methylimidazol-1-yl) butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25F2IN2O2
InChI InChI=1S/C17H25F2IN2O2/c1-13-21-9-10-22(13)17(18,19)11-15(20)12-24-16(23)8-7-14-5-3-2-4-6-14/h9-10,14-15H,2-8,11-12H2,1H3
InChIKey NVVNAGHXPGTSMQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030211023
Molecular Weight 454.300 g/mol
SMILES C(=O)(OCC(CC([n]1ccnc1C)(F)F)I)CCC1CCCCC1
SPLASH splash10-00gi-6924000000-0d4e375174eacc4c698c
Source of Spectrum CJC-21-1353-8bd
Synonyms 4,4-Difluoro-2-iodo-4-(2-methyl-1H-imidazol-1-yl)butyl 3-cyclohexylpropanoate
Wiley ID 1773691