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2.alpha.-Phthalimido-8-oxabicyclo[3.2.1]oct-6-en-3-one

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

2.alpha.-Phthalimido-8-oxabicyclo[3.2.1]oct-6-en-3-one
SpectraBase Compound ID HeNtXFOkG7f
InChI InChI=1S/C15H11NO4/c17-11-7-8-5-6-12(20-8)13(11)16-14(18)9-3-1-2-4-10(9)15(16)19/h1-6,8,12-13H,7H2/t8?,12?,13-/m1/s1
InChIKey BFNCRUQEWYVXTN-FMFXKYEUSA-N
Mol Weight 269.26 g/mol
Molecular Formula C15H11NO4
Exact Mass 269.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6pe6Gm5dPBB
Name 2.alpha.-Phthalimido-8-oxabicyclo[3.2.1]oct-6-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.068807834 u
Formula C15H11NO4
InChI InChI=1S/C15H11NO4/c17-11-7-8-5-6-12(20-8)13(11)16-14(18)9-3-1-2-4-10(9)15(16)19/h1-6,8,12-13H,7H2/t8?,12?,13-/m1/s1
InChIKey BFNCRUQEWYVXTN-FMFXKYEUSA-N
SMILES C1(N(C(C2=CC=CC=C12)=O)[C@@]1(C(CC2OC1C=C2)=O)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973857