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3,4-Dimethyl-2-phenyl-1,4-oxazepane-5,7-dione

View entire compound with spectra: 1 MS (GC)

3,4-Dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
SpectraBase Compound ID 6ZYHdXNmuU
InChI InChI=1S/C13H15NO3/c1-9-13(10-6-4-3-5-7-10)17-12(16)8-11(15)14(9)2/h3-7,9,13H,8H2,1-2H3
InChIKey VWGLSJADRJXISE-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID N4zrIMTwjy
Name 3,4-Dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
Alternate Name(s) 1,4-Oxazepine-5,7(2H,6H)-dione, dihydro-3,4-dimethyl-2-phenyl-, (2R-trans)- 3,4-Dimethyl-2-phenyl-1,4-oxazepane-5,7-quinone
CAS Registry Number 121466-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-9-13(10-6-4-3-5-7-10)17-12(16)8-11(15)14(9)2/h3-7,9,13H,8H2,1-2H3
InChIKey VWGLSJADRJXISE-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C1(=O)CC(N(C(C(O1)c1ccccc1)C)C)=O
SPLASH splash10-0adi-9300000000-02ee7e0e74dbb5b68110
Wiley ID 1494294