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3-Oxo-4-(4-oxo-azetidin-2-yl)-butyric acid 4-nitro-benzyl ester
SpectraBase Compound ID F5QymizVs9d
InChI InChI=1S/C14H14N2O6/c17-12(5-10-6-13(18)15-10)7-14(19)22-8-9-1-3-11(4-2-9)16(20)21/h1-4,10H,5-8H2,(H,15,18)
InChIKey PWBMQGYKWADRQL-UHFFFAOYSA-N
Mol Weight 306.27 g/mol
Molecular Formula C14H14N2O6
Exact Mass 306.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46zVrDmuK5
Name 3-Oxo-4-(4-oxo-azetidin-2-yl)-butyric acid 4-nitro-benzyl ester
Alternate Name(s) p-Nitrobenzyl 4,.beta.-dioxo-2-azetidine-butynoate 3-oxo-4-(4-oxo-2-azetidinyl)butanoic acid (4-nitrophenyl)methyl ester (4-nitrophenyl)methyl 3-oxo-4-(4-oxoazetidin-2-yl)butanoate (4-nitrophenyl)methyl 3-oxidanylidene-4-(4-oxidanylideneazetidin-2-yl)butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H14N2O6
InChI InChI=1S/C14H14N2O6/c17-12(5-10-6-13(18)15-10)7-14(19)22-8-9-1-3-11(4-2-9)16(20)21/h1-4,10H,5-8H2,(H,15,18)
InChIKey PWBMQGYKWADRQL-UHFFFAOYSA-N
Molecular Weight 306.274 g/mol
SMILES N1C(CC1CC(CC(OCc1ccc(N(=O)=O)cc1)=O)=O)=O
SPLASH splash10-0aor-0089000000-b078bee231db1be6f865
Source of Spectrum E1-34-1441-18
Wiley ID 1710206