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9-Hydroxy-7-(3-phenylpropyl)-3,5,6,7,8,9-hexahydrooxazolo[4,5-h]-[3]benzazepin-2-one
SpectraBase Compound ID 9r0lAEEDoWU
InChI InChI=1S/C20H22N2O3/c23-18-13-22(9-4-7-14-5-2-1-3-6-14)10-8-15-11-17-19(12-16(15)18)25-20(24)21-17/h1-3,5-6,11-12,18,23H,4,7-10,13H2,(H,21,24)
InChIKey AOYRNDKGQJOGSA-UHFFFAOYSA-N
Mol Weight 338.41 g/mol
Molecular Formula C20H22N2O3
Exact Mass 338.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkKiZiyQDNz
Name 9-Hydroxy-7-(3-phenylpropyl)-3,5,6,7,8,9-hexahydrooxazolo[4,5-h]-[3]benzazepin-2-one
Appearance Pale-yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O3
InChI InChI=1S/C20H22N2O3/c23-18-13-22(9-4-7-14-5-2-1-3-6-14)10-8-15-11-17-19(12-16(15)18)25-20(24)21-17/h1-3,5-6,11-12,18,23H,4,7-10,13H2,(H,21,24)
InChIKey AOYRNDKGQJOGSA-UHFFFAOYSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200147
Molecular Weight 338.407 g/mol
SMILES N1C(Oc2cc3c(CCN(CC3O)CCCc3ccccc3)cc12)=O
SPLASH splash10-001i-1092000000-893a524d7af078259bc2
Source of Spectrum APC-355-20-22c
Thin-Layer Chromatography Rf = 0.07 (ethyl acetate/n-hexane, 4:1+1% N-ethyldimethylamine)
Wiley ID 1875758