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(1R,2S,3R,4R)-6-Bromo-2,4-dinitro-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
SpectraBase Compound ID CkpBiuaihyF
InChI InChI=1S/C16H13BrN2O5/c17-10-6-7-11-12(8-10)14(18(21)22)13(9-4-2-1-3-5-9)15(16(11)20)19(23)24/h1-8,13-16,20H/t13-,14+,15+,16-/m1/s1
InChIKey KDZAJAPADQZMAG-FXUDXRNXSA-N
Mol Weight 393.19 g/mol
Molecular Formula C16H13BrN2O5
Exact Mass 392.000785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BckOMwtZRKG
Name (1R,2S,3R,4R)-6-Bromo-2,4-dinitro-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrN2O5
InChI InChI=1S/C16H13BrN2O5/c17-10-6-7-11-12(8-10)14(18(21)22)13(9-4-2-1-3-5-9)15(16(11)20)19(23)24/h1-8,13-16,20H/t13-,14+,15+,16-/m1/s1
InChIKey KDZAJAPADQZMAG-FXUDXRNXSA-N
Literature Reference DOI 10.1002/adsc.201300039
Molecular Weight 393.193 g/mol
SMILES O[C@]1([C@]([C@@]([C@](c2cc(ccc12)Br)([N+](=O)[O-])[H])(c1ccccc1)[H])([N+](=O)[O-])[H])[H]
SPLASH splash10-0ul0-0194000000-420b0cf1aba49b12b6a6
Source of Spectrum ASC-355-1133-5m
Wiley ID 1762024