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(1'S)-N-(1'-HYDROXYETHYL-2'-METHYL)-1H-ISOINDOLE-1,3(2H)-DIONE
SpectraBase Compound ID 49ehNCKDouO
InChI InChI=1S/C11H11NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3/t7-/m0/s1
InChIKey KYTIHOIDWMVRKU-ZETCQYMHSA-N
Mol Weight 205.21 g/mol
Molecular Formula C11H11NO3
Exact Mass 205.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WWtiaebPiM
Name 2-[(1S)-2-hydroxy-1-methyl-ethyl]isoindoline-1,3-dione
Alternate Name(s) 2-[(1S)-2-hydroxy-1-methyl-ethyl]isoindoline-1,3-quinone 2-[(1S)-2-hydroxy-1-methylethyl]-1H-isoindole-1,3(2H)-dione 2-[(2S)-1-hydroxypropan-2-yl]isoindole-1,3-dione 2-[(2S)-1-oxidanylpropan-2-yl]isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C11H11NO3
InChI InChI=1S/C11H11NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3/t7-/m0/s1
InChIKey KYTIHOIDWMVRKU-ZETCQYMHSA-N
Molecular Weight 205.213 g/mol
SMILES OC[C@@](N1C(c2ccccc2C1=O)=O)(C)[H]
SPLASH splash10-00di-0900000000-6a8c16d28b02eddee9f7
Source of Spectrum QC-11-3626-4
Wiley ID 860099