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4-Fluoro-7-iodo-4-methylheptyl benzoate
SpectraBase Compound ID 3JO2UD3X3S7
InChI InChI=1S/C15H20FIO2/c1-15(16,9-5-11-17)10-6-12-19-14(18)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey BLZNESSFUPPPIQ-UHFFFAOYSA-N
Mol Weight 378.23 g/mol
Molecular Formula C15H20FIO2
Exact Mass 378.049203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkSU9KdmHib
Name 4-Fluoro-7-iodo-4-methylheptyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.049203045 u
Formula C15H20FIO2
InChI InChI=1S/C15H20FIO2/c1-15(16,9-5-11-17)10-6-12-19-14(18)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey BLZNESSFUPPPIQ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 378.226 g/mol
Quality 197
Reported Formula C15H20IO2F
SMILES C(CCCOC(C1=CC=CC=C1)=O)(CCCI)(C)F
SPLASH splash10-0a4i-4910000000-b735cb19bf3dfb4b5aa2
Source of Spectrum ACI-56-SM30-10 (DOI: 10.1002/anie.201708197)
Wiley ID 1896552