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(S)-6,7-Bis(benzyloxy)-1-(tert-butyloxycarbonyl)tryptophan Ethyl Ester
SpectraBase Compound ID JdHpQjbRpG1
InChI InChI=1S/C32H36N2O6/c1-5-37-30(35)26(33)18-24-19-34(31(36)40-32(2,3)4)28-25(24)16-17-27(38-20-22-12-8-6-9-13-22)29(28)39-21-23-14-10-7-11-15-23/h6-17,19,26H,5,18,20-21,33H2,1-4H3/t26-/m0/s1
InChIKey NQAZMECUJVQSHZ-SANMLTNESA-N
Mol Weight 544.6 g/mol
Molecular Formula C32H36N2O6
Exact Mass 544.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1TzEGicsIe
Name (S)-6,7-Bis(benzyloxy)-1-(tert-butyloxycarbonyl)tryptophan Ethyl Ester
Appearance Brown oil
Carrier Gas Helium
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Exact Mass 544.257336881 u
Formula C32H36N2O6
GC Oven Program Oven temp 340 oC
InChI InChI=1S/C32H36N2O6/c1-5-37-30(35)26(33)18-24-19-34(31(36)40-32(2,3)4)28-25(24)16-17-27(38-20-22-12-8-6-9-13-22)29(28)39-21-23-14-10-7-11-15-23/h6-17,19,26H,5,18,20-21,33H2,1-4H3/t26-/m0/s1
InChIKey NQAZMECUJVQSHZ-SANMLTNESA-N
Instrument Name Finnigan MAT 95 or ThermoElectron Trace DSQ-GC Ultra
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800417
Molecular Weight 544.648 g/mol
Optical Rotation [a]D20 = +2.5 (c = 0.264, CHCl3)
Quality 83
Reported Formula C32H36N2O6
SMILES N[C@@](CC1=CN(C=2C(=C(C=CC12)OCC=1C=CC=CC1)OCC=1C=CC=CC1)C(=O)OC(C)(C)C)(C(=O)OCC)[H]
SPLASH splash10-0006-9112000000-1e978f7940352fffebdb
Source of Spectrum K1-2018-2812-10 (DOI: 10.1002/ejoc.201800417)
Wiley ID 1891683