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(2R)-2-[(S)-(4-methoxyphenyl)-oxidanyl-methyl]cycloheptan-1-one
SpectraBase Compound ID Dts3OZcbDl2
InChI InChI=1S/C15H20O3/c1-18-12-9-7-11(8-10-12)15(17)13-5-3-2-4-6-14(13)16/h7-10,13,15,17H,2-6H2,1H3/t13-,15+/m0/s1
InChIKey XFPZQYUBXDMRJK-DZGCQCFKSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qPVqOIMzNL
Name (2R)-2-[(S)-(4-methoxyphenyl)-oxidanyl-methyl]cycloheptan-1-one
Alternate Name(s) (2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]-1-cycloheptanone (2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]cycloheptan-1-one (2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]cycloheptanone
Comments Less than 3 mono-isotopic peaks
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-18-12-9-7-11(8-10-12)15(17)13-5-3-2-4-6-14(13)16/h7-10,13,15,17H,2-6H2,1H3/t13-,15+/m0/s1
InChIKey XFPZQYUBXDMRJK-DZGCQCFKSA-N
Molecular Weight 248.322 g/mol
SMILES O[C@@]([C@@]1(C(=O)CCCCC1)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-000i-0900000000-01dad2bc33653580c2a4
Source of Spectrum F-54-10401-0
Wiley ID 808497