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(+-)-trans-2-Hydroxy-7-nitro-3-(4-phenylpiperidino)tetralin [(+-)-7-nitrobenzovesamicol]
SpectraBase Compound ID BO8m7QimQ4P
InChI InChI=1S/C21H24N2O3/c24-21-14-18-12-19(23(25)26)7-6-17(18)13-20(21)22-10-8-16(9-11-22)15-4-2-1-3-5-15/h1-7,12,16,20-21,24H,8-11,13-14H2/t20-,21-/m1/s1
InChIKey ICKFVDQAVVGEQT-NHCUHLMSSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOuUjaGkS0W
Name (+-)-trans-2-Hydroxy-7-nitro-3-(4-phenylpiperidino)tetralin [(+-)-7-nitrobenzovesamicol]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/c24-21-14-18-12-19(23(25)26)7-6-17(18)13-20(21)22-10-8-16(9-11-22)15-4-2-1-3-5-15/h1-7,12,16,20-21,24H,8-11,13-14H2/t20-,21-/m1/s1
InChIKey ICKFVDQAVVGEQT-NHCUHLMSSA-N
Molecular Weight 352.434 g/mol
SMILES O[C@@]1(Cc2cc(N(=O)=O)ccc2C[C@]1(N1CCC(CC1)c1ccccc1)[H])[H]
SPLASH splash10-0uk9-1719000000-70db512313c255832cfd
Source of Spectrum E1-39-3339-12
Synonyms (2R,3R)-7-nitro-3-(4-phenyl-1-piperidinyl)-1,2,3,4-tetrahydronaphthalen-2-ol (2R,3R)-7-nitro-3-(4-phenyl-1-piperidyl)tetralin-2-ol (2R,3R)-7-nitro-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
Wiley ID 1598917