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Acetnitrile, 2-(3,4-trimethylenedioxyphenyl)-

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

Acetnitrile, 2-(3,4-trimethylenedioxyphenyl)-
SpectraBase Compound ID CBvyXSA4Cqx
InChI InChI=1S/C11H11NO2/c12-5-4-9-2-3-10-11(8-9)14-7-1-6-13-10/h2-3,8H,1,4,6-7H2
InChIKey VDQDOPRGIPEKCT-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C11H11NO2
Exact Mass 189.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ATqBeJUdfHP
Name Acetnitrile, 2-(3,4-trimethylenedioxyphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.078978596 u
Formula C11H11NO2
InChI InChI=1S/C11H11NO2/c12-5-4-9-2-3-10-11(8-9)14-7-1-6-13-10/h2-3,8H,1,4,6-7H2
InChIKey VDQDOPRGIPEKCT-UHFFFAOYSA-N
Molecular Weight 189.214 g/mol
SMILES C1OC=2C(=CC(CC#N)=CC2)OCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969677