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(1R,5R,6S)-6-bromobicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID 35XKkJNbPaU
InChI InChI=1S/C6H7BrO/c7-6-3-1-2-4(8)5(3)6/h3,5-6H,1-2H2/t3-,5-,6+/m1/s1
InChIKey TWPLBGPKDJGAGB-PUFIMZNGSA-N
Mol Weight 175.02 g/mol
Molecular Formula C6H7BrO
Exact Mass 173.968028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2DdfcRJtKq
Name (1R,5R,6S)-6-bromobicyclo[3.1.0]hexan-2-one
CAS Registry Number 68241-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7BrO
InChI InChI=1S/C6H7BrO/c7-6-3-1-2-4(8)5(3)6/h3,5-6H,1-2H2/t3-,5-,6+/m1/s1
InChIKey TWPLBGPKDJGAGB-PUFIMZNGSA-N
Molecular Weight 175.025 g/mol
SMILES [C@]12([C@@](C(=O)CC2)([H])[C@]1(Br)[H])[H]
SPLASH splash10-001i-0900000000-c1dbfd064a9cca314ef3
Source of Spectrum C-100-5871-0
Synonyms (1R,5R,6S)-6-bromo-2-bicyclo[3.1.0]hexanone
Wiley ID 1170060