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Cyclobuta[5,6]naphtho[2,3-d][1,3]dioxole-1,2-dione

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

Cyclobuta[5,6]naphtho[2,3-d][1,3]dioxole-1,2-dione
SpectraBase Compound ID 1pSdEbCoxcd
InChI InChI=1S/C13H6O4/c14-12-7-2-1-6-3-9-10(17-5-16-9)4-8(6)11(7)13(12)15/h1-4H,5H2
InChIKey MSFBNSDUEGROKV-UHFFFAOYSA-N
Mol Weight 226.19 g/mol
Molecular Formula C13H6O4
Exact Mass 226.026609 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FYajcCS6GLP
Name Cyclobuta[5,6]naphtho[2,3-D][1,3]dioxole-1,2-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.026608669 u
Formula C13H6O4
InChI InChI=1S/C13H6O4/c14-12-7-2-1-6-3-9-10(17-5-16-9)4-8(6)11(7)13(12)15/h1-4H,5H2
InChIKey MSFBNSDUEGROKV-UHFFFAOYSA-N
Molecular Weight 226.187 g/mol
SMILES C=12C(=O)C(C2=CC=C2C1C=C1OCOC1=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962161