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(+-)-4-Methyl-3-(3,3-ethylenedioxybutyl)pent-4-enitrile

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

(+-)-4-Methyl-3-(3,3-ethylenedioxybutyl)pent-4-enitrile
SpectraBase Compound ID fl9JJ74vZw
InChI InChI=1S/C12H19NO2/c1-10(2)11(5-7-13)4-6-12(3)14-8-9-15-12/h11H,1,4-6,8-9H2,2-3H3
InChIKey JEZKYLAXRRHHQY-UHFFFAOYSA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A5KwkXAqBc5
Name (+-)-4-methyl-3-(3,3-ethylenedioxybutyl)pent-4-enitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.141578854 u
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-10(2)11(5-7-13)4-6-12(3)14-8-9-15-12/h11H,1,4-6,8-9H2,2-3H3
InChIKey JEZKYLAXRRHHQY-UHFFFAOYSA-N
Molecular Weight 209.289 g/mol
SMILES C1(OCCO1)(CCC(C(=C)C)CC#N)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954621