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(1S,12bR)-1-(2-ketoethyl)-2,3,4,6,7,12b-hexahydro-1H-pyrido[2,1-a]$b-carboline-12-carboxylic acid tert-butyl ester
SpectraBase Compound ID 8xVapViQvOH
InChI InChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)24-18-9-5-4-8-16(18)17-10-13-23-12-6-7-15(11-14-25)19(23)20(17)24/h4-5,8-9,14-15,19H,6-7,10-13H2,1-3H3/t15-,19+/m0/s1
InChIKey IDLJBYWRGNNIOG-HNAYVOBHSA-N
Mol Weight 368.48 g/mol
Molecular Formula C22H28N2O3
Exact Mass 368.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J01oaTV78nf
Name (1S,12bR)-1-(2-ketoethyl)-2,3,4,6,7,12b-hexahydro-1H-pyrido[2,1-a]$b-carboline-12-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O3
InChI InChI=1S/C22H28N2O3/c1-22(2,3)27-21(26)24-18-9-5-4-8-16(18)17-10-13-23-12-6-7-15(11-14-25)19(23)20(17)24/h4-5,8-9,14-15,19H,6-7,10-13H2,1-3H3/t15-,19+/m0/s1
InChIKey IDLJBYWRGNNIOG-HNAYVOBHSA-N
Molecular Weight 368.477 g/mol
SMILES c12[n](c3c(c2CCN2[C@@]1([C@](CC=O)(CCC2)[H])[H])cccc3)C(OC(C)(C)C)=O
SPLASH splash10-001i-0295000000-abbe0c0ed447c2b8e80b
Source of Spectrum H1-51-1129-11
Synonyms (1S,12bR)-1-(2-oxoethyl)-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine-12-carboxylic acid tert-butyl ester tert-Butyl (1S,12bR)-1-(2-oxidanylideneethyl)-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine-12-carboxylate tert-Butyl (1S,12bR)-1-(2-oxoethyl)-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizine-12-carboxylate
Wiley ID 817126