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(+-)-trans-2-Hydroxy-7-iodo-3-(4-phenylpiperidino)tetralin [(+-)-7-iodobenzovesamicol]
SpectraBase Compound ID CilMza74Xzs
InChI InChI=1S/C21H24INO/c22-19-7-6-17-13-20(21(24)14-18(17)12-19)23-10-8-16(9-11-23)15-4-2-1-3-5-15/h1-7,12,16,20-21,24H,8-11,13-14H2/t20-,21-/m1/s1
InChIKey MTVLLGKCGSPPQQ-NHCUHLMSSA-N
Mol Weight 433.33 g/mol
Molecular Formula C21H24INO
Exact Mass 433.090259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hHRY1svJGI
Name (+-)-trans-2-Hydroxy-7-iodo-3-(4-phenylpiperidino)tetralin [(+-)-7-iodobenzovesamicol]
Alternate Name(s) (2R,3R)-7-iodo-3-(4-phenyl-1-piperidinyl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-7-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-7-iodo-3-(4-phenyl-1-piperidyl)tetralin-2-ol (2R,3R)-7-iodanyl-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
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Formula C21H24INO
InChI InChI=1S/C21H24INO/c22-19-7-6-17-13-20(21(24)14-18(17)12-19)23-10-8-16(9-11-23)15-4-2-1-3-5-15/h1-7,12,16,20-21,24H,8-11,13-14H2/t20-,21-/m1/s1
InChIKey MTVLLGKCGSPPQQ-NHCUHLMSSA-N
Molecular Weight 433.333 g/mol
SMILES O[C@]1([C@](N2CCC(CC2)c2ccccc2)(Cc2ccc(cc2C1)I)[H])[H]
SPLASH splash10-00dl-6900100000-c6cb67fdc1b6bd417850
Source of Spectrum E1-39-3339-14
Wiley ID 1598915