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1,3-Benzodioxole, 5-(2-cyclohexenone-2-yl)-

View entire compound with spectra: 1 FTIR

1,3-Benzodioxole, 5-(2-cyclohexenone-2-yl)-
SpectraBase Compound ID 5MAbZ9QsxqV
InChI InChI=1S/C13H12O3/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h3,5-7H,1-2,4,8H2
InChIKey DJKKJLSSGSTTOH-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G6bDfNhLlM1
Name 1,3-Benzodioxole, 5-(2-cyclohexenone-2-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.078644243 u
Formula C13H12O3
InChI InChI=1S/C13H12O3/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h3,5-7H,1-2,4,8H2
InChIKey DJKKJLSSGSTTOH-UHFFFAOYSA-N
Molecular Weight 216.236 g/mol
SMILES C12=C(C=C(C=C2)C=2C(CCCC2)=O)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944746