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1-(t-Butoxycarbonyl)-2-(3-ethoxycarbonyl-1-oxopropyl)-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID 1HwsqHvovMO
InChI InChI=1S/C22H28N2O5/c1-5-28-18(26)11-10-17(25)24-13-12-15-14-8-6-7-9-16(14)23-19(15)20(24)21(27)29-22(2,3)4/h6-9,20,23H,5,10-13H2,1-4H3
InChIKey XEFIDQBVILQHJX-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtRz069HwUv
Name 1-(t-Butoxycarbonyl)-2-(3-ethoxycarbonyl-1-oxopropyl)-1,2,3,4-tetrahydro-.beta.-carboline
Alternate Name(s) tert-Butyl 2-(4-ethoxy-4-oxobutanoyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-5-28-18(26)11-10-17(25)24-13-12-15-14-8-6-7-9-16(14)23-19(15)20(24)21(27)29-22(2,3)4/h6-9,20,23H,5,10-13H2,1-4H3
InChIKey XEFIDQBVILQHJX-UHFFFAOYSA-N
Molecular Weight 400.475 g/mol
SMILES [nH]1c2ccccc2c2CCN(C(c12)C(OC(C)(C)C)=O)C(=O)CCC(=O)OCC
SPLASH splash10-00xr-0942000000-05e64dd9b74ef60f3bbf
Source of Spectrum F-48-7077-10
Wiley ID 1369431