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1-(2'-Benzyloxycarbonylethyl)-1,3,3a,4,5,10b-hexahydroisoxazolo[3,4-d]benzo[b]oxaepine
SpectraBase Compound ID 4cCx6s4kUS5
InChI InChI=1S/C21H23NO4/c23-20(25-14-16-6-2-1-3-7-16)10-12-22-21-17(15-26-22)11-13-24-19-9-5-4-8-18(19)21/h1-9,17,21H,10-15H2
InChIKey IBUKIWBYKBCCGT-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xuWzYXQZCq
Name 1-(2'-Benzyloxycarbonylethyl)-1,3,3a,4,5,10b-hexahydroisoxazolo[3,4-d]benzo[b]oxaepine
Alternate Name(s) benzyl 3-(3a,4,5,10b-tetrahydro[1]benzoxepino[5,4-c]isoxazol-1(3H)-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c23-20(25-14-16-6-2-1-3-7-16)10-12-22-21-17(15-26-22)11-13-24-19-9-5-4-8-18(19)21/h1-9,17,21H,10-15H2
InChIKey IBUKIWBYKBCCGT-UHFFFAOYSA-N
Molecular Weight 353.418 g/mol
SMILES C12N(OCC1CCOc1c2cccc1)CCC(=O)OCc1ccccc1
SPLASH splash10-0a4l-9801000000-9f2e39829993b63bab3c
Source of Spectrum F-47-4517-40
Wiley ID 1344045