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Benzeneacetonitrile, 4-(1-methylethoxy)-3-(phenylmethoxy)-

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

Benzeneacetonitrile, 4-(1-methylethoxy)-3-(phenylmethoxy)-
SpectraBase Compound ID LCpCDSnvzoc
InChI InChI=1S/C18H19NO2/c1-14(2)21-17-9-8-15(10-11-19)12-18(17)20-13-16-6-4-3-5-7-16/h3-9,12,14H,10,13H2,1-2H3
InChIKey IWKOTVRVXIRUJY-UHFFFAOYSA-N
Mol Weight 281.36 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A0x7xttdRhq
Name Benzeneacetonitrile, 4-(1-methylethoxy)-3-(phenylmethoxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-14(2)21-17-9-8-15(10-11-19)12-18(17)20-13-16-6-4-3-5-7-16/h3-9,12,14H,10,13H2,1-2H3
InChIKey IWKOTVRVXIRUJY-UHFFFAOYSA-N
SMILES C(#N)CC=1C=C(OCC=2C=CC=CC2)C(=CC1)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951907