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1-(t-Butoxycarbonyl)-1-(3-ethoxycarbonyl-1-oxopropyl)-2,3,4-trihydro-.beta.-carboline
SpectraBase Compound ID DHg5msYixW8
InChI InChI=1S/C22H28N2O5/c1-5-28-18(26)11-10-17(25)22(20(27)29-21(2,3)4)19-15(12-13-23-22)14-8-6-7-9-16(14)24-19/h6-9,23-24H,5,10-13H2,1-4H3
InChIKey FSBOEDSBRMJKHE-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 LqaRSUplZ27
Name 1-(t-Butoxycarbonyl)-1-(3-ethoxycarbonyl-1-oxopropyl)-2,3,4-trihydro-.beta.-carboline
Alternate Name(s) tert-Butyl 1-(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)22(20(27)29-21(2,3)4)19-15(12-13-23-22)14-8-6-7-9-16(14)24-19/h6-9,23-24H,5,10-13H2,1-4H3
InChIKey FSBOEDSBRMJKHE-UHFFFAOYSA-N
Molecular Weight 400.475 g/mol
SMILES N1CCc2c(C1(C(OC(C)(C)C)=O)C(=O)CCC(=O)OCC)[nH]c1ccccc21
SPLASH splash10-0uxr-0090800000-55a0ce6935d635f3e73b
Source of Spectrum F-48-7077-8
Wiley ID 1369432