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3-Bromanyl-5-methyl-hexan-2-one
SpectraBase Compound ID 42acH3zY8wJ
InChI InChI=1S/C7H13BrO/c1-5(2)4-7(8)6(3)9/h5,7H,4H2,1-3H3
InChIKey AKXQIHQVZDCBJY-UHFFFAOYSA-N
Mol Weight 193.08 g/mol
Molecular Formula C7H13BrO
Exact Mass 192.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjicwOHY6Rb
Name 3-Bromanyl-5-methyl-hexan-2-one
CAS Registry Number 71700-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13BrO
InChI InChI=1S/C7H13BrO/c1-5(2)4-7(8)6(3)9/h5,7H,4H2,1-3H3
InChIKey AKXQIHQVZDCBJY-UHFFFAOYSA-N
Molecular Weight 193.084 g/mol
SMILES C(Br)(CC(C)C)C(C)=O
SPLASH splash10-0006-9200000000-b8f2a37efda0e26fb3eb
Source of Spectrum J-45-45-162
Synonyms 3-Bromo-5-methyl-2-hexanone 3-Bromo-5-methyl-hexan-2-one
Wiley ID 1187918