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5-(4'-Methoxyphenyl)-4a(S),6a(S)-dihydro-4H-azeto[3,2-d]-[1,3]oxazine-2,6(1H,5H)-dione
SpectraBase Compound ID 6x3RnNOCyE7
InChI InChI=1S/C12H12N2O4/c1-17-8-4-2-7(3-5-8)14-9-6-18-12(16)13-10(9)11(14)15/h2-5,9-10H,6H2,1H3,(H,13,16)/t9-,10+/m1/s1
InChIKey YUEOQABELKCMHD-ZJUUUORDSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5ikD6HKoHU
Name 5-(4'-Methoxyphenyl)-4a(S),6a(S)-dihydro-4H-azeto[3,2-d]-[1,3]oxazine-2,6(1H,5H)-dione
Alternate Name(s) (1S,6S)-7-(4-methoxyphenyl)-4-oxa-2,7-diazabicyclo[4.2.0]octane-3,8-dione 5-(4'-Methoxyphenyl)-4a,6a-dihydro-4H-azeto[3,2-d]-[1,3]oxazine-2,6(1H,5H)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-17-8-4-2-7(3-5-8)14-9-6-18-12(16)13-10(9)11(14)15/h2-5,9-10H,6H2,1H3,(H,13,16)/t9-,10+/m1/s1
InChIKey YUEOQABELKCMHD-ZJUUUORDSA-N
Molecular Weight 248.238 g/mol
SMILES N1C(OC[C@]2(N(C([C@@]12[H])=O)c1ccc(cc1)OC)[H])=O
SPLASH splash10-000t-0890000000-4de4dfe7588d7ace657c
Source of Spectrum U-1995-834-37
Wiley ID 766698