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Methyl [(2-13C*)-methoxymethoxy]-[(5'-methoxy-2'-nitrophenoxy)-acetate
SpectraBase Compound ID 9gNmdPNtcuI
InChI InChI=1S/C12H15NO8/c1-17-7-20-12(11(14)19-3)21-10-6-8(18-2)4-5-9(10)13(15)16/h4-6,12H,7H2,1-3H3/i12+1
InChIKey RFABRVOOKULYQF-HNHCFKFXSA-N
Mol Weight 302.24 g/mol
Molecular Formula C1113CH15NO8
Exact Mass 302.083121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXHSOvcYKYi
Name [2-13C]-Methoxymethoxy(5-methoxy-2-nitrophenoxy)-acetic Acid Methyl Ester
Appearance Yellow oil
Comments Original formula: C11[13C]H15NO8
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Formula C12H15NO8
InChI InChI=1S/C12H15NO8/c1-17-7-20-12(11(14)19-3)21-10-6-8(18-2)4-5-9(10)13(15)16/h4-6,12H,7H2,1-3H3/i12+1
InChIKey RFABRVOOKULYQF-HNHCFKFXSA-N
Instrument Name VG Masslab Manchester 12-250
Ionization Type EI
Literature Reference DOI 10.1021/np0102455
Molecular Weight 302.243 g/mol
SMILES [13CH](Oc1cc(ccc1[N+]([O-])=O)OC)(OCOC)C(=O)OC
SPLASH splash10-03dj-9020000000-a039821b07feb5322711
Source of Spectrum G4-65-468-7
Wiley ID 1881077