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N-[.alpha.-(.beta.-hydroxy-.alpha.-naphthyl)(2-chlorophenylmethyl)]-o-benzyl carbamate
SpectraBase Compound ID Eiz4tpBi2Ri
InChI InChI=1S/C25H20ClNO3/c26-21-13-7-6-12-20(21)24(27-25(29)30-16-17-8-2-1-3-9-17)23-19-11-5-4-10-18(19)14-15-22(23)28/h1-15,24,28H,16H2,(H,27,29)
InChIKey HJKZBAMKTFTPII-UHFFFAOYSA-N
Mol Weight 417.89 g/mol
Molecular Formula C25H20ClNO3
Exact Mass 417.113171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0r8PcMUNe4
Name N-[.alpha.-(.beta.-hydroxy-.alpha.-naphthyl)(2-chlorophenylmethyl)]-o-benzyl carbamate
Comments Computed using HOSE algorithm
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Exact Mass 417.113171205 u
Formula C25H20ClNO3
InChI InChI=1S/C25H20ClNO3/c26-21-13-7-6-12-20(21)24(27-25(29)30-16-17-8-2-1-3-9-17)23-19-11-5-4-10-18(19)14-15-22(23)28/h1-15,24,28H,16H2,(H,27,29)
InChIKey HJKZBAMKTFTPII-UHFFFAOYSA-N
Molecular Weight 417.892 g/mol
SMILES C=1(C=CC=CC1)COC(NC(C1=C(C=CC=2C1=CC=CC2)O)C1=CC=CC=C1Cl)=O