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1-(4-Bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one
SpectraBase Compound ID HQVx0GMXSbN
InChI InChI=1S/C13H16BrNO3/c1-13(2,3)11(8-15(17)18)12(16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3
InChIKey BSAARVAWFOQZJR-UHFFFAOYSA-N
Mol Weight 314.18 g/mol
Molecular Formula C13H16BrNO3
Exact Mass 313.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGQrcV4ELHV
Name 1-(4-Bromophenyl)-3,3-dimethyl-2-(nitromethyl)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16BrNO3
InChI InChI=1S/C13H16BrNO3/c1-13(2,3)11(8-15(17)18)12(16)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3
InChIKey BSAARVAWFOQZJR-UHFFFAOYSA-N
Molecular Weight 314.179 g/mol
SMILES C(N(=O)=O)C(C(c1ccc(cc1)Br)=O)C(C)(C)C
SPLASH splash10-001i-0910000000-e470c4bc06da13f22cd5
Source of Spectrum J-73-9646-6g
Wiley ID 1668820