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N(b)-(Benzyloxycarbonyl)-N(b)-((R)-1-phenylethyl)tryptamine

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N(b)-(Benzyloxycarbonyl)-N(b)-((R)-1-phenylethyl)tryptamine
SpectraBase Compound ID DxDezfWxXAO
InChI InChI=1S/C26H26N2O2/c1-20(22-12-6-3-7-13-22)28(26(29)30-19-21-10-4-2-5-11-21)17-16-23-18-27-25-15-9-8-14-24(23)25/h2-15,18,20,27H,16-17,19H2,1H3/t20-/m1/s1
InChIKey WRHOXJVIOALEOP-HXUWFJFHSA-N
Mol Weight 398.51 g/mol
Molecular Formula C26H26N2O2
Exact Mass 398.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdTiHYvLNtE
Name N(B)-(Benzyloxycarbonyl)-N(B)-((R)-1-phenylethyl)tryptamine
Comments Computed using HOSE algorithm
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Exact Mass 398.199428083 u
Formula C26H26N2O2
InChI InChI=1S/C26H26N2O2/c1-20(22-12-6-3-7-13-22)28(26(29)30-19-21-10-4-2-5-11-21)17-16-23-18-27-25-15-9-8-14-24(23)25/h2-15,18,20,27H,16-17,19H2,1H3/t20-/m1/s1
InChIKey WRHOXJVIOALEOP-HXUWFJFHSA-N
Molecular Weight 398.506 g/mol
SMILES C(N([C@@](C1=CC=CC=C1)(C)[H])CCC1=CNC=2C1=CC=CC2)(OCC1=CC=CC=C1)=O