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(2R)-2-[(S)-hydroxy(phenyl)methyl]-1-cycloheptanone
SpectraBase Compound ID 1Tu4GC5EpXM
InChI InChI=1S/C14H18O2/c15-13-10-6-2-5-9-12(13)14(16)11-7-3-1-4-8-11/h1,3-4,7-8,12,14,16H,2,5-6,9-10H2/t12-,14+/m0/s1
InChIKey KHULYCXRCPVMGI-GXTWGEPZSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3b4eceBH0Ju
Name (2R)-2-[(S)-hydroxy(phenyl)methyl]-1-cycloheptanone
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O2
InChI InChI=1S/C14H18O2/c15-13-10-6-2-5-9-12(13)14(16)11-7-3-1-4-8-11/h1,3-4,7-8,12,14,16H,2,5-6,9-10H2/t12-,14+/m0/s1
InChIKey KHULYCXRCPVMGI-GXTWGEPZSA-N
Molecular Weight 218.296 g/mol
SMILES O[C@@]([C@@]1(C(=O)CCCCC1)[H])(c1ccccc1)[H]
SPLASH splash10-03di-0900000000-5fd8136dab709f79b61c
Source of Spectrum F-54-10401-0
Synonyms (2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one (2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptanone (2R)-2-[(S)-oxidanyl(phenyl)methyl]cycloheptan-1-one
Wiley ID 808498