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Hexyl 3-Bromo-5-iodobenzoate

View entire compound with spectra: 1 MS (GC)

Hexyl 3-Bromo-5-iodobenzoate
SpectraBase Compound ID EH2TpcdOW2R
InChI InChI=1S/C13H16BrIO2/c1-2-3-4-5-6-17-13(16)10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3
InChIKey FIUWDFKSHGHVSU-UHFFFAOYSA-N
Mol Weight 411.08 g/mol
Molecular Formula C13H16BrIO2
Exact Mass 409.937838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UV3moUvQb5
Name Hexyl 3-Bromo-5-iodobenzoate
Alternate Name(s) 3-Bromo-5-iodo-benzoic acid hexyl ester Hexyl 3-bromanyl-5-iodanyl-benzoate 3-Bromo-5-iodobenzoic acid hexyl ester
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Formula C13H16BrIO2
InChI InChI=1S/C13H16BrIO2/c1-2-3-4-5-6-17-13(16)10-7-11(14)9-12(15)8-10/h7-9H,2-6H2,1H3
InChIKey FIUWDFKSHGHVSU-UHFFFAOYSA-N
Molecular Weight 411.077 g/mol
SMILES c1(C(=O)OCCCCCC)cc(Br)cc(c1)I
SPLASH splash10-004i-0009100000-6d05caabbdf4082f2ffa
Source of Spectrum J-61-8167-19
Wiley ID 1373449