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2-((1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)isoindoline-1,3-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-((1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)isoindoline-1,3-dione
SpectraBase Compound ID 7CTJbEgtpCt
InChI InChI=1S/C14H11NO5/c16-10-5-9(11-6-19-14(10)20-11)15-12(17)7-3-1-2-4-8(7)13(15)18/h1-4,9,11,14H,5-6H2/t9-,11+,14+/m0/s1
InChIKey HLBLGOMMRKHUJC-DRCTWCGVSA-N
Mol Weight 273.24 g/mol
Molecular Formula C14H11NO5
Exact Mass 273.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14QE2QjG9c3
Name 6,8-Dioxabicyclo[3.2.1]octan-4-one, 2-(1,3-dihydro-1,3-dioxoisoindol-2-yl)-
Alternate Name(s) 2-(4-keto-6,8-dioxabicyclo[3.2.1]octan-2-yl)isoindoline-1,3-quinone 2-(4-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-2-yl)isoindole-1,3-dione 2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)isoindole-1,3-dione 2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)isoindoline-1,3-dione
CAS Registry Number 184950-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO5
InChI InChI=1S/C14H11NO5/c16-10-5-9(11-6-19-14(10)20-11)15-12(17)7-3-1-2-4-8(7)13(15)18/h1-4,9,11,14H,5-6H2/t9-,11+,14+/m0/s1
InChIKey HLBLGOMMRKHUJC-DRCTWCGVSA-N
Molecular Weight 273.244 g/mol
SMILES c1cc2C(N(C(c2cc1)=O)[C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H])=O
SPLASH splash10-0f72-2920000000-39ec9bb4a2357e17d388
Source of Spectrum AD-0-2532-0
Wiley ID 1428007