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[(alpha-Carboxyphenethyl)oxy]carbamic acid, diethyl ester
SpectraBase Compound ID 6RfBNyNMOt5
InChI InChI=1S/C14H19NO5/c1-3-18-13(16)12(20-15-14(17)19-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)
InChIKey PTZSUPCJHLVURJ-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C14H19NO5
Exact Mass 281.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zewMzugUWS
Name [(alpha-Carboxyphenethyl)oxy]carbamic acid, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 281.126322711 u
Formula C14H19NO5
InChI InChI=1S/C14H19NO5/c1-3-18-13(16)12(20-15-14(17)19-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)
InChIKey PTZSUPCJHLVURJ-UHFFFAOYSA-N
Molecular Weight 281.308 g/mol
SMILES N(OC(CC=1C=CC=CC1)C(OCC)=O)C(OCC)=O