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(+-)-trans-2-Hydroxy-6-iodo-3-(4-phenylpiperidino)tetralin [(+-)-6-iodobenzovesamicol]
SpectraBase Compound ID 47bp5s9sPLq
InChI InChI=1S/C21H24INO/c22-19-7-6-17-14-21(24)20(13-18(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 GJSOCNMEZIDMNM-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 Jiv0mkK35J7
Name (+-)-trans-2-Hydroxy-6-iodo-3-(4-phenylpiperidino)tetralin [(+-)-6-iodobenzovesamicol]
Alternate Name(s) (2R,3R)-6-iodo-3-(4-phenyl-1-piperidinyl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-6-iodo-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-6-iodo-3-(4-phenyl-1-piperidyl)tetralin-2-ol (2R,3R)-6-iodanyl-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24INO
InChI InChI=1S/C21H24INO/c22-19-7-6-17-14-21(24)20(13-18(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 GJSOCNMEZIDMNM-NHCUHLMSSA-N
Molecular Weight 433.333 g/mol
SMILES O[C@]1([C@](N2CCC(CC2)c2ccccc2)(Cc2cc(I)ccc2C1)[H])[H]
SPLASH splash10-05fu-6910100000-878d8ac2f8a719ef5342
Source of Spectrum E1-39-3339-10
Wiley ID 1598919