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1-Pentanol, 2-[(tert.butyloxycarbonyl)amino]-4-methyl-1-phenyl-, (R or S)
SpectraBase Compound ID DU0rH5dJ0hl
InChI InChI=1S/C17H27NO3/c1-12(2)11-14(18-16(20)21-17(3,4)5)15(19)13-9-7-6-8-10-13/h6-10,12,14-15,19H,11H2,1-5H3,(H,18,20)
InChIKey TZIMFEOMAKWZQR-UHFFFAOYSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3h02eSfY4E3
Name 1-Pentanol, 2-[(tert.butyloxycarbonyl)amino]-4-methyl-1-phenyl-, (R or S)
Comments Computed using HOSE algorithm
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Exact Mass 293.199093730 u
Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-12(2)11-14(18-16(20)21-17(3,4)5)15(19)13-9-7-6-8-10-13/h6-10,12,14-15,19H,11H2,1-5H3,(H,18,20)
InChIKey TZIMFEOMAKWZQR-UHFFFAOYSA-N
Molecular Weight 293.407 g/mol
SMILES C(O)(C(CC(C)C)NC(OC(C)(C)C)=O)C=1C=CC=CC1