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N-Carboxyglycine, 9-anthrylmethyl N-benzyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Carboxyglycine, 9-anthrylmethyl N-benzyl ester
SpectraBase Compound ID EfxAsTRMEBt
InChI InChI=1S/C25H21NO4/c27-24(15-26-25(28)30-16-18-8-2-1-3-9-18)29-17-23-21-12-6-4-10-19(21)14-20-11-5-7-13-22(20)23/h1-14H,15-17H2,(H,26,28)
InChIKey MXRSJEIUWYBMOP-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C25H21NO4
Exact Mass 399.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ojz2DKKKDx
Name N-Carboxyglycine, 9-anthrylmethyl N-benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.147058156 u
Formula C25H21NO4
InChI InChI=1S/C25H21NO4/c27-24(15-26-25(28)30-16-18-8-2-1-3-9-18)29-17-23-21-12-6-4-10-19(21)14-20-11-5-7-13-22(20)23/h1-14H,15-17H2,(H,26,28)
InChIKey MXRSJEIUWYBMOP-UHFFFAOYSA-N
Molecular Weight 399.446 g/mol
SMILES N(C(=O)OCC=1C=CC=CC1)CC(=O)OCC1=C2C=CC=CC2=CC2=C1C=CC=C2