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3-(2-Hydroxyethyl)-1-indolecarboxylic acid tert-butyl ester
SpectraBase Compound ID 4V0Qnyvpbjn
InChI InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKey VTFPZEDGWAEVDL-UHFFFAOYSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hx0v4ixSy8B
Name 3-(2-Hydroxyethyl)-1-indolecarboxylic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 261.136493473 u
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-11(8-9-17)12-6-4-5-7-13(12)16/h4-7,10,17H,8-9H2,1-3H3
InChIKey VTFPZEDGWAEVDL-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES C=1N(C=2C=CC=CC2C1CCO)C(=O)OC(C)(C)C