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6-Amino-4-benzylidene-2-(phenoxymethyl)-3,4-dihydro-2H-pyran-5-carbonitrile
SpectraBase Compound ID 7VZBVPOz1bl
InChI InChI=1S/C20H18N2O2/c21-13-19-16(11-15-7-3-1-4-8-15)12-18(24-20(19)22)14-23-17-9-5-2-6-10-17/h1-11,18H,12,14,22H2
InChIKey LPHPQSDEWWARKM-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qq9DMYFh3L
Name 6-Amino-4-benzylidene-2-(phenoxymethyl)-3,4-dihydro-2H-pyran-5-carbonitrile
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c21-13-19-16(11-15-7-3-1-4-8-15)12-18(24-20(19)22)14-23-17-9-5-2-6-10-17/h1-11,18H,12,14,22H2
InChIKey LPHPQSDEWWARKM-UHFFFAOYSA-N
Instrument Name Finnigan-MAT-8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3570
Molecular Weight 318.376 g/mol
SMILES NC1=C(C(CC(O1)COc1ccccc1)=Cc1ccccc1)C#N
SPLASH splash10-05di-8910000000-e519d9e8df03d97d9069
Source of Spectrum Y-56-1854-4d
Thin-Layer Chromatography Rf = 0.31 (hexane/EtOAc, 4:1)
Wiley ID 1859577