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(Trans)-2-(4'-methoxyphenyl)-tetrahydrofuran-3-acrbonitrile

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

(Trans)-2-(4'-methoxyphenyl)-tetrahydrofuran-3-acrbonitrile
SpectraBase Compound ID 2jErhs2ujGp
InChI InChI=1S/C12H13NO2/c1-14-11-4-2-9(3-5-11)12-10(8-13)6-7-15-12/h2-5,10,12H,6-7H2,1H3/t10-,12-/m1/s1
InChIKey VVOAWZYHLLCGCQ-ZYHUDNBSSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IZiO74G7RKv
Name (Trans)-2-(4'-methoxyphenyl)-tetrahydrofuran-3-acrbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-14-11-4-2-9(3-5-11)12-10(8-13)6-7-15-12/h2-5,10,12H,6-7H2,1H3/t10-,12-/m1/s1
InChIKey VVOAWZYHLLCGCQ-ZYHUDNBSSA-N
Molecular Weight 203.241 g/mol
SMILES C(#N)[C@@]1([C@@](C=2C=CC(=CC2)OC)(OCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962678