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3-Amino-2-naphthalenecarboxylic acid tert-butyl ester
SpectraBase Compound ID 2eihZpFUB4e
InChI InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)12-8-10-6-4-5-7-11(10)9-13(12)16/h4-9H,16H2,1-3H3
InChIKey PXDRBPYDJKXHFO-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KH9da1uDBoT
Name 3-Amino-2-naphthalenecarboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 243.125928789 u
Formula C15H17NO2
InChI InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)12-8-10-6-4-5-7-11(10)9-13(12)16/h4-9H,16H2,1-3H3
InChIKey PXDRBPYDJKXHFO-UHFFFAOYSA-N
Molecular Weight 243.306 g/mol
SMILES C=1C(=C(C=C2C=CC=CC12)N)C(=O)OC(C)(C)C