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3-Allyl-9-hydroxy-7-(4-phenylbenzyl)-3,5,6,7,8,9-hexahydrooxazolo[4,5-h]-[3]benzazepin-2-one
SpectraBase Compound ID 7WnJ5QsSfiw
InChI InChI=1S/C27H26N2O3/c1-2-13-29-24-15-22-12-14-28(18-25(30)23(22)16-26(24)32-27(29)31)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h2-11,15-16,25,30H,1,12-14,17-18H2
InChIKey GRVHQOCGFMAQAV-UHFFFAOYSA-N
Mol Weight 426.52 g/mol
Molecular Formula C27H26N2O3
Exact Mass 426.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Q9Cn3ccNy5
Name 3-Allyl-9-hydroxy-7-(4-phenylbenzyl)-3,5,6,7,8,9-hexahydrooxazolo[4,5-h]-[3]benzazepin-2-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N2O3
InChI InChI=1S/C27H26N2O3/c1-2-13-29-24-15-22-12-14-28(18-25(30)23(22)16-26(24)32-27(29)31)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h2-11,15-16,25,30H,1,12-14,17-18H2
InChIKey GRVHQOCGFMAQAV-UHFFFAOYSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200147
Molecular Weight 426.516 g/mol
SMILES OC1CN(CCc2c1cc1OC(N(CC=C)c1c2)=O)Cc1ccc(cc1)-c1ccccc1
SPLASH splash10-03xr-0690000000-0387d306d92538dfa632
Source of Spectrum APC-355-17-21n
Wiley ID 1875754