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4-{1-[4-(Cyanooxy)phenyl]ethyl}phenyl cyanate

View entire compound with spectra: 1 FTIR

4-{1-[4-(Cyanooxy)phenyl]ethyl}phenyl cyanate
SpectraBase Compound ID Gy30LXPJBN
InChI InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
InChIKey SIZDMAYTWUINIG-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C16H12N2O2
Exact Mass 264.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FLoTG8kZ5go
Name 4-{1-[4-(Cyanooxy)phenyl]ethyl}phenyl cyanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.089877632 u
Formula C16H12N2O2
InChI InChI=1S/C16H12N2O2/c1-12(13-2-6-15(7-3-13)19-10-17)14-4-8-16(9-5-14)20-11-18/h2-9,12H,1H3
InChIKey SIZDMAYTWUINIG-UHFFFAOYSA-N
Molecular Weight 264.284 g/mol
SMILES C(C)(C1=CC=C(C=C1)OC#N)C1=CC=C(C=C1)OC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811298