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2-Hexanone, 5-bromo-3-methyl-, (R*,R*)-
SpectraBase Compound ID ItO3ma7aqUC
InChI InChI=1S/C7H13BrO/c1-5(7(3)9)4-6(2)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKey DKFVUEMKNQIQQT-PHDIDXHHSA-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 KBirQFmmvED
Name 2-Hexanone, 5-bromo-3-methyl-, (R*,R*)-
CAS Registry Number 104723-16-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13BrO
InChI InChI=1S/C7H13BrO/c1-5(7(3)9)4-6(2)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKey DKFVUEMKNQIQQT-PHDIDXHHSA-N
Molecular Weight 193.084 g/mol
SMILES C([C@@](C[C@](Br)(C)[H])(C)[H])(=O)C
SPLASH splash10-0006-9300000000-397432eb300b551ea746
Source of Spectrum KC-1985-2590-0
Synonyms (3R,5R)-5-bromo-3-methyl-2-hexanone 5-Bromo-3-methylhexan-2-one
Wiley ID 1187921