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3-Allyl-7-benzyl-9-hydroxy-3,5,6,7,8,9-hexahydrooxazolo[4,5-h]-[3]benzazepine-2-one
SpectraBase Compound ID AxHaODUhjOx
InChI InChI=1S/C21H22N2O3/c1-2-9-23-18-11-16-8-10-22(13-15-6-4-3-5-7-15)14-19(24)17(16)12-20(18)26-21(23)25/h2-7,11-12,19,24H,1,8-10,13-14H2
InChIKey OKRNNUBNSWXHQE-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CPPp8Buuff
Name 3-Allyl-7-benzyl-9-hydroxy-3,5,6,7,8,9-hexahydrooxazolo[4,5-h]-[3]benzazepine-2-one
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-2-9-23-18-11-16-8-10-22(13-15-6-4-3-5-7-15)14-19(24)17(16)12-20(18)26-21(23)25/h2-7,11-12,19,24H,1,8-10,13-14H2
InChIKey OKRNNUBNSWXHQE-UHFFFAOYSA-N
Instrument Name Thermo-Finnigan MAT GCQ
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200147
Molecular Weight 350.418 g/mol
SMILES OC1CN(CCc2c1cc1OC(N(CC=C)c1c2)=O)Cc1ccccc1
SPLASH splash10-001i-2900000000-d5bb4b2d047a9de8f77f
Source of Spectrum APC-355-13-21a
Wiley ID 1875746