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Butyl 3-bromo-2-iodo-5-methylbenzoate

View entire compound with spectra: 1 MS (GC)

Butyl 3-bromo-2-iodo-5-methylbenzoate
SpectraBase Compound ID L9rvubiYo0K
InChI InChI=1S/C12H14BrIO2/c1-3-4-5-16-12(15)9-6-8(2)7-10(13)11(9)14/h6-7H,3-5H2,1-2H3
InChIKey DJYPADPZYCOTCL-UHFFFAOYSA-N
Mol Weight 397.05 g/mol
Molecular Formula C12H14BrIO2
Exact Mass 395.922188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z6pz14g39W
Name Butyl 3-bromo-2-iodo-5-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrIO2
InChI InChI=1S/C12H14BrIO2/c1-3-4-5-16-12(15)9-6-8(2)7-10(13)11(9)14/h6-7H,3-5H2,1-2H3
InChIKey DJYPADPZYCOTCL-UHFFFAOYSA-N
Molecular Weight 397.050 g/mol
SMILES C(c1c(c(cc(c1)C)Br)I)(=O)OCCCC
SPLASH splash10-0006-0009000000-554c487cdd5b9e6729f2
Source of Spectrum KC-0-930-5
Synonyms 3-Bromo-2-iodo-5-methylbenzoic acid butyl ester Butyl 3-bromo-2-iodo-5-methyl-benzoate Butyl 3-bromanyl-2-iodanyl-5-methyl-benzoate
Wiley ID 830159