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5-(Allyloxy)-2,3-dimethoxy-4-methylbenzonitrile

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

5-(Allyloxy)-2,3-dimethoxy-4-methylbenzonitrile
SpectraBase Compound ID IBcJ0EuWHKC
InChI InChI=1S/C13H15NO3/c1-5-6-17-11-7-10(8-14)13(16-4)12(15-3)9(11)2/h5,7H,1,6H2,2-4H3
InChIKey UEYWYSJKZTVLAQ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6dAmnOkPxKL
Name 5-(Allyloxy)-2,3-dimethoxy-4-methylbenzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.105193344 u
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-5-6-17-11-7-10(8-14)13(16-4)12(15-3)9(11)2/h5,7H,1,6H2,2-4H3
InChIKey UEYWYSJKZTVLAQ-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C=1(C(=C(OCC=C)C=C(C1OC)C#N)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946199