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(2S,4R,5R)-4-(3-Bromo-propyl)-4-chloro-tricyclo[4.2.1.0*2,5*]nonan-3-one
SpectraBase Compound ID 6UWqkbVDRyi
InChI InChI=1S/C12H16BrClO/c13-5-1-4-12(14)10-8-3-2-7(6-8)9(10)11(12)15/h7-10H,1-6H2/t7?,8?,9-,10+,12+/m0/s1
InChIKey OZGUNCXESICUOS-XPEUZXGSSA-N
Mol Weight 291.62 g/mol
Molecular Formula C12H16BrClO
Exact Mass 290.007306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4shu2aMqXGc
Name (2S,4R,5R)-4-(3-Bromo-propyl)-4-chloro-tricyclo[4.2.1.0*2,5*]nonan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16BrClO
InChI InChI=1S/C12H16BrClO/c13-5-1-4-12(14)10-8-3-2-7(6-8)9(10)11(12)15/h7-10H,1-6H2/t7?,8?,9-,10+,12+/m0/s1
InChIKey OZGUNCXESICUOS-XPEUZXGSSA-N
Molecular Weight 291.616 g/mol
SMILES [C@]1(C(=O)[C@@]2([C@]1(C1CC2CC1)[H])[H])(Cl)CCCBr
SPLASH splash10-0006-8690000000-fa3d01e4b3aeede2479a
Source of Spectrum F-50-12587-26
Synonyms (1RS,2RS,4SR,5SR,6SR)-4-(3'-Bromopropyl)-4-chlorotricyclo[4.2.1.0(2,5)]nonan-3-one (2S,4R,5R)-4-(3-bromopropyl)-4-chlorotricyclo[4.2.1.0(2,5)]nonan-3-one
Wiley ID 790047