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(2S,3S)-2-(1-BENZYLOXYMETHYL-3,3,3-TRIFLUORO-2-HYDROXYPROPYL)-ISOINDOLE-1,3-DIONE
SpectraBase Compound ID DvH9X2VgP18
InChI InChI=1S/C19H16F3NO4/c20-19(21,22)16(24)15(11-27-10-12-6-2-1-3-7-12)23-17(25)13-8-4-5-9-14(13)18(23)26/h1-9,15-16,24H,10-11H2/t15-,16-/m0/s1
InChIKey YBNWDGYVUYDXGA-HOTGVXAUSA-N
Mol Weight 379.34 g/mol
Molecular Formula C19H16F3NO4
Exact Mass 379.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16MpHFi57A
Name 2-[(1S,2S)-1-(benzoxymethyl)-3,3,3-trifluoro-2-hydroxy-propyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[(1S,2S)-1-(benzyloxymethyl)-3,3,3-trifluoro-2-hydroxy-propyl]isoindoline-1,3-dione 2-[(2S,3S)-4,4,4-trifluoro-3-hydroxy-1-phenylmethoxybutan-2-yl]isoindole-1,3-dione 2-[(2S,3S)-4,4,4-tris(fluoranyl)-3-oxidanyl-1-phenylmethoxy-butan-2-yl]isoindole-1,3-dione
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Formula C19H16F3NO4
InChI InChI=1S/C19H16F3NO4/c20-19(21,22)16(24)15(11-27-10-12-6-2-1-3-7-12)23-17(25)13-8-4-5-9-14(13)18(23)26/h1-9,15-16,24H,10-11H2/t15-,16-/m0/s1
InChIKey YBNWDGYVUYDXGA-HOTGVXAUSA-N
Molecular Weight 379.335 g/mol
SMILES O[C@@]([C@@](N1C(c2ccccc2C1=O)=O)(COCc1ccccc1)[H])(C(F)(F)F)[H]
SPLASH splash10-006y-6900000000-1e6e54f8e6870d82a754
Source of Spectrum F-69-5489-4
Wiley ID 1595400