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1H-Isoindole-1,3(2H)-dione, 2-(2-bromo-3-hydroxycyclohexyl)-, (1.alpha.,2.beta.,3.alpha.)-(.+-.)-
SpectraBase Compound ID FOOQw8xYudu
InChI InChI=1S/C14H14BrNO3/c15-12-10(6-3-7-11(12)17)16-13(18)8-4-1-2-5-9(8)14(16)19/h1-2,4-5,10-12,17H,3,6-7H2/t10-,11+,12+/m0/s1
InChIKey XZNLIPDDBVEGQR-QJPTWQEYSA-N
Mol Weight 324.17 g/mol
Molecular Formula C14H14BrNO3
Exact Mass 323.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS8i53vlJ39
Name 1H-Isoindole-1,3(2H)-dione, 2-(2-bromo-3-hydroxycyclohexyl)-, (1.alpha.,2.beta.,3.alpha.)-(.+-.)-
CAS Registry Number 123166-53-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14BrNO3
InChI InChI=1S/C14H14BrNO3/c15-12-10(6-3-7-11(12)17)16-13(18)8-4-1-2-5-9(8)14(16)19/h1-2,4-5,10-12,17H,3,6-7H2/t10-,11+,12+/m0/s1
InChIKey XZNLIPDDBVEGQR-QJPTWQEYSA-N
Molecular Weight 324.174 g/mol
SMILES O[C@]1([C@@]([C@@](N2C(c3ccccc3C2=O)=O)(CCC1)[H])(Br)[H])[H]
SPLASH splash10-004j-0950000000-e7059a3ae531230660ac
Source of Spectrum KC-1989-659-28
Synonyms 1,2-trans-2,3-trans-2-bromo-3-N-phthalimidocyclohexanol 2-[(1S,2R,3R)-2-bromo-3-hydroxycyclohexyl]-1H-isoindole-1,3(2H)-dione 2-[(1S,2R,3R)-2-bromo-3-hydroxycyclohexyl]isoindole-1,3-dione 2-[(1S,2R,3R)-2-bromo-3-hydroxy-cyclohexyl]isoindoline-1,3-dione 2-[(1S,2R,3R)-2-bromanyl-3-oxidanyl-cyclohexyl]isoindole-1,3-dione
Wiley ID 1322308