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(S)-2-(2,6-dioxotetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione
SpectraBase Compound ID L4D2S0DBWq4
InChI InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2/t9-/m0/s1
InChIKey ICDLEMPZXFCQEB-VIFPVBQESA-N
Mol Weight 259.22 g/mol
Molecular Formula C13H9NO5
Exact Mass 259.048072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KSdKpZ0lXV
Name (S)-2-(2,6-dioxotetrahydro-2H-pyran-3-yl)isoindoline-1,3-dione
Appearance Colorless crystals
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Exact Mass 259.048072389 u
Formula C13H9NO5
InChI InChI=1S/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2/t9-/m0/s1
InChIKey ICDLEMPZXFCQEB-VIFPVBQESA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202108814
Quality 1000
SMILES C1(=O)OC(CC[C@@]1(N1C(C2=CC=CC=C2C1=O)=O)[H])=O
SPLASH splash10-00di-2900000000-9186ce01f62c831a5f80
Source of Spectrum ACI-60-SM46-2a (DOI: 10.1002/anie.202108814)
Thin-Layer Chromatography 0.55 (ethyl acetate/cyclohexane, 1:1)
Wiley ID 1891331