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3-Bromomethyl-4-(4'-methoxyphenyl)-3-buten-2-one
SpectraBase Compound ID 7tanSzzKVkj
InChI InChI=1S/C12H13BrO2/c1-9(14)11(8-13)7-10-3-5-12(15-2)6-4-10/h3-7H,8H2,1-2H3/b11-7+
InChIKey TYLMLQNJHORZLJ-YRNVUSSQSA-N
Mol Weight 269.14 g/mol
Molecular Formula C12H13BrO2
Exact Mass 268.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5AbJZdkSCL
Name 3-Bromomethyl-4-(4'-methoxyphenyl)-3-buten-2-one
Alternate Name(s) (Z)-3-(bromomethyl)-4-(4-methoxyphenyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrO2
InChI InChI=1S/C12H13BrO2/c1-9(14)11(8-13)7-10-3-5-12(15-2)6-4-10/h3-7H,8H2,1-2H3/b11-7+
InChIKey TYLMLQNJHORZLJ-YRNVUSSQSA-N
Molecular Weight 269.138 g/mol
SMILES c1(\C=C\(C(=O)C)CBr)ccc(cc1)OC
SPLASH splash10-000b-1900000000-d91d00ee54c64d487558
Source of Spectrum QC-24-978-3f
Wiley ID 1738904