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2-[(1S)-1-benzyl-2-diethoxyphosphoryl-ethyl]isoindoline-1,3-dione
SpectraBase Compound ID 7exHH1CKCAA
InChI InChI=1S/C21H24NO5P/c1-3-26-28(25,27-4-2)15-17(14-16-10-6-5-7-11-16)22-20(23)18-12-8-9-13-19(18)21(22)24/h5-13,17H,3-4,14-15H2,1-2H3/t17-/m0/s1
InChIKey XQUXLSGBXLXVEF-KRWDZBQOSA-N
Mol Weight 401.4 g/mol
Molecular Formula C21H24NO5P
Exact Mass 401.13921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EI9BciIL8g
Name 2-[(1S)-1-benzyl-2-diethoxyphosphoryl-ethyl]isoindoline-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24NO5P
InChI InChI=1S/C21H24NO5P/c1-3-26-28(25,27-4-2)15-17(14-16-10-6-5-7-11-16)22-20(23)18-12-8-9-13-19(18)21(22)24/h5-13,17H,3-4,14-15H2,1-2H3/t17-/m0/s1
InChIKey XQUXLSGBXLXVEF-KRWDZBQOSA-N
Molecular Weight 401.399 g/mol
SMILES C([C@](Cc1ccccc1)(N1C(=O)c2c(C1=O)cccc2)[H])P(OCC)(OCC)=O
SPLASH splash10-0w2c-9786000000-3bc5645b6b792332c17d
Source of Spectrum D8-327-713-0
Synonyms 2-[(1S)-1-benzyl-2-diethoxyphosphoryl-ethyl]isoindoline-1,3-quinone 2-[(2S)-1-diethoxyphosphoryl-3-phenyl-propan-2-yl]isoindole-1,3-dione
Wiley ID 1515424