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12,12-Difluoro-10-iodo-12-(2-methylimidazol-1-yl)-dodecanoic acid ethyl ester
SpectraBase Compound ID GA6RNH76J4A
InChI InChI=1S/C18H29F2IN2O2/c1-3-25-17(24)11-9-7-5-4-6-8-10-16(21)14-18(19,20)23-13-12-22-15(23)2/h12-13,16H,3-11,14H2,1-2H3
InChIKey POFVKYMFCVAVSS-UHFFFAOYSA-N
Mol Weight 470.34 g/mol
Molecular Formula C18H29F2IN2O2
Exact Mass 470.12418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Goc1Zgdf3cQ
Name 12,12-Difluoro-10-iodo-12-(2-methylimidazol-1-yl)-dodecanoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29F2IN2O2
InChI InChI=1S/C18H29F2IN2O2/c1-3-25-17(24)11-9-7-5-4-6-8-10-16(21)14-18(19,20)23-13-12-22-15(23)2/h12-13,16H,3-11,14H2,1-2H3
InChIKey POFVKYMFCVAVSS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20030211023
Molecular Weight 470.343 g/mol
SMILES C(=O)(OCC)CCCCCCCCC(CC([n]1ccnc1C)(F)F)I
SPLASH splash10-0006-9108100000-861f5965971b22ee0505
Source of Spectrum CJC-21-1353-8bc
Synonyms Ethyl 12,12-difluoro-10-iodo-12-(2-methyl-1H-imidazol-1-yl)dodecanoate
Wiley ID 1773690