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Benzyl 1-(benzylamino)-3-[(benzyloxycarbonyl)methyl]-2-indanecarboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzyl 1-(benzylamino)-3-[(benzyloxycarbonyl)methyl]-2-indanecarboxylate
SpectraBase Compound ID 4kUMMWuo3db
InChI InChI=1S/C33H31NO4/c35-30(37-22-25-14-6-2-7-15-25)20-29-27-18-10-11-19-28(27)32(34-21-24-12-4-1-5-13-24)31(29)33(36)38-23-26-16-8-3-9-17-26/h1-19,29,31-32,34H,20-23H2
InChIKey JOABHBIXGYGJIH-UHFFFAOYSA-N
Mol Weight 505.6 g/mol
Molecular Formula C33H31NO4
Exact Mass 505.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AXIyyHmmCT
Name Benzyl 1-(benzylamino)-3-[(benzyloxycarbonyl)methyl]-2-indanecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 505.225308478 u
Formula C33H31NO4
InChI InChI=1S/C33H31NO4/c35-30(37-22-25-14-6-2-7-15-25)20-29-27-18-10-11-19-28(27)32(34-21-24-12-4-1-5-13-24)31(29)33(36)38-23-26-16-8-3-9-17-26/h1-19,29,31-32,34H,20-23H2
InChIKey JOABHBIXGYGJIH-UHFFFAOYSA-N
Molecular Weight 505.614 g/mol
SMILES C1(C(C(C=2C=CC=CC12)CC(=O)OCC=1C=CC=CC1)C(=O)OCC=1C=CC=CC1)NCC=1C=CC=CC1