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3-((trans)-3-(4-bromophenyl)-1-hydroxycyclobutyl)cyclohex-2-enone
SpectraBase Compound ID Fr2SlAnXth6
InChI InChI=1S/C16H17BrO2/c17-14-6-4-11(5-7-14)12-9-16(19,10-12)13-2-1-3-15(18)8-13/h4-8,12,19H,1-3,9-10H2/t12-,16-
InChIKey CDXIAYHAZADFDT-YGUOUDRMSA-N
Mol Weight 321.21 g/mol
Molecular Formula C16H17BrO2
Exact Mass 320.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ukz3T2aeW
Name 3-((trans)-3-(4-bromophenyl)-1-hydroxycyclobutyl)cyclohex-2-enone
Alternate Name(s) 3-((1r,3r)-3-(4-bromophenyl)-1-hydroxycyclobutyl)cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO2
InChI InChI=1S/C16H17BrO2/c17-14-6-4-11(5-7-14)12-9-16(19,10-12)13-2-1-3-15(18)8-13/h4-8,12,19H,1-3,9-10H2/t12-,16-
InChIKey CDXIAYHAZADFDT-YGUOUDRMSA-N
Literature Reference DOI 10.1002/asia.201100383
Molecular Weight 321.214 g/mol
SMILES O[C@]1(C[C@@](C1)(c1ccc(cc1)Br)[H])C1=CC(CCC1)=O
SPLASH splash10-0a4v-4910000000-d3f06bb7f90d5240521f
Source of Spectrum CAJ-6-2269/SM2-4a'
Wiley ID 1773097