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3,4,4,4-tetradeuterio-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-nitrooxy-2-(trideuteriomethyl)butanoic acid ethyl ester
SpectraBase Compound ID LGZJjbpgVMl
InChI InChI=1S/C10H15N3O6/c1-5-17-9(14)10(4,6(2)19-13(15)16)8-11-7(3)18-12-8/h6H,5H2,1-4H3/i2D3,4D3,6D
InChIKey VZQVINRYHHCZSK-SOQQAKAKSA-N
Mol Weight 280.29 g/mol
Molecular Formula C10H8D7N3O6
Exact Mass 280.140022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdoGqosbz6Y
Name 3,4,4,4-tetradeuterio-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-nitrooxy-2-(trideuteriomethyl)butanoic acid ethyl ester
Alternate Name(s) 3,4,4,4-tetradeuterio-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-nitrooxy-2-(trideuteriomethyl)butyric acid ethyl ester ethyl 3,4,4,4-tetradeuterio-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3-nitrooxy-2-(trideuteriomethyl)butanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8D7N3O6
InChI InChI=1S/C10H15N3O6/c1-5-17-9(14)10(4,6(2)19-13(15)16)8-11-7(3)18-12-8/h6H,5H2,1-4H3/i2D3,4D3,6D
InChIKey VZQVINRYHHCZSK-SOQQAKAKSA-N
Molecular Weight 280.288 g/mol
SMILES C(C(c1nc(C)on1)(C([D])([D])[D])C(=O)OCC)(ON(=O)=O)(C([D])([D])[D])[D]
SPLASH splash10-0006-0900000000-6ccf9b74aa92a13935cd
Source of Spectrum KC-0-1567-39
Wiley ID 788101