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2-[(1R,3S)-3-hydroxycyclohexyl]isoindole-1,3-dione
SpectraBase Compound ID 5mxrEFYNeTM
InChI InChI=1S/C14H15NO3/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(15)18/h1-2,6-7,9-10,16H,3-5,8H2/t9-,10+/m1/s1
InChIKey FBLDVWHNOYBREN-ZJUUUORDSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GisuMoTmgGw
Name 2-[(1R,3S)-3-hydroxycyclohexyl]isoindole-1,3-dione
Alternate Name(s) 2-[(1R,3S)-3-hydroxycyclohexyl]isoindoline-1,3-dione 2-[(1R,3S)-3-hydroxycyclohexyl]isoindoline-1,3-quinone 2-[(1R,3S)-3-oxidanylcyclohexyl]isoindole-1,3-dione
CAS Registry Number 123132-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(15)18/h1-2,6-7,9-10,16H,3-5,8H2/t9-,10+/m1/s1
InChIKey FBLDVWHNOYBREN-ZJUUUORDSA-N
Molecular Weight 245.278 g/mol
SMILES O[C@@]1(C[C@](N2C(c3ccccc3C2=O)=O)(CCC1)[H])[H]
SPLASH splash10-006t-0920000000-32a4c3ee3d57198e6845
Source of Spectrum KC-1989-660-29
Wiley ID 1248029