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CARVONE-TRIBROMIDE
SpectraBase Compound ID LqmLQomYoLL
InChI InChI=1S/C10H15Br3O/c1-5(2)6-4-7(11)10(3,13)9(14)8(6)12/h5-8H,4H2,1-3H3/t6-,7-,8-,10-/m0/s1
InChIKey JVAHOEIDMFJBGR-GHCJXIJMSA-N
Mol Weight 390.94 g/mol
Molecular Formula C10H15Br3O
Exact Mass 387.867304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyrN0xg04LB
Name (2R,3S,5S,6S)-2,3,6-tribromo-2-methyl-5-propan-2-yl-1-cyclohexanone
CAS Registry Number 121703-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15Br3O
InChI InChI=1S/C10H15Br3O/c1-5(2)6-4-7(11)10(3,13)9(14)8(6)12/h5-8H,4H2,1-3H3/t6-,7-,8-,10-/m0/s1
InChIKey JVAHOEIDMFJBGR-GHCJXIJMSA-N
Molecular Weight 390.941 g/mol
SMILES C1([C@]([C@@](Br)(C[C@]([C@@]1(Br)[H])(C(C)C)[H])[H])(Br)C)=O
SPLASH splash10-0ik9-5009000000-947582fe1eba89b7ba89
Source of Spectrum KC-1988-1534-27
Synonyms (2R,3S,5S,6S)-2,3,6-tribromo-2-methyl-5-propan-2-ylcyclohexan-1-one (2R,3S,5S,6S)-2,3,6-tribromo-5-isopropyl-2-methyl-cyclohexanone (2R,3S,5S,6S)-2,3,6-tris(bromanyl)-2-methyl-5-propan-2-yl-cyclohexan-1-one
Wiley ID 1363538