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3-Bromo-3-methylbutyl 2-(4-chlorophenoxy)acetate
SpectraBase Compound ID LA5Iy5DiNJM
InChI InChI=1S/C13H16BrClO3/c1-13(2,14)7-8-17-12(16)9-18-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3
InChIKey BLHCWEJOPWIKES-UHFFFAOYSA-N
Mol Weight 335.63 g/mol
Molecular Formula C13H16BrClO3
Exact Mass 333.997135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 840KLx5d7lF
Name 3-Bromo-3-methylbutyl 2-(4-chlorophenoxy)acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.997135072 u
Formula C13H16BrClO3
InChI InChI=1S/C13H16BrClO3/c1-13(2,14)7-8-17-12(16)9-18-11-5-3-10(15)4-6-11/h3-6H,7-9H2,1-2H3
InChIKey BLHCWEJOPWIKES-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 335.625 g/mol
Quality 302
Reported Formula C13H16BrClO3
SMILES C(C(Br)(C)C)COC(COC1=CC=C(C=C1)Cl)=O
SPLASH splash10-014l-9601000000-62b8457906f7378920f0
Source of Spectrum ACI-56-SM5-Br-1f (DOI: 10.1002/anie.201708197)
Wiley ID 1896577