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(S)-CARBONYLBENZYLOXY-9-FORMYL-1,3,4,9-TETRAHYDRO-BETA-CARBOLINE-3-CARBOXYLIC-ACID-TERT.-BUTYLAMMONIUM-SALT
SpectraBase Compound ID 1dbWHtTZglT
InChI InChI=1S/2C21H18N2O5.2C4H11N/c2*24-13-23-17-9-5-4-8-15(17)16-10-18(20(25)26)22(11-19(16)23)21(27)28-12-14-6-2-1-3-7-14;2*1-4(2,3)5/h2*1-9,13,18H,10-12H2,(H,25,26);2*5H2,1-3H3/t2*18-;;/m00../s1
InChIKey YFJZVWKSOGHXES-GQXSCEISSA-N
Mol Weight 903.05 g/mol
Molecular Formula C50H58N6O10
Exact Mass 902.421442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JemtJbwAez
Name (S)-CARBONYLBENZYLOXY-9-FORMYL-1,3,4,9-TETRAHYDRO-BETA-CARBOLINE-3-CARBOXYLIC-ACID-TERT.-BUTYLAMMONIUM-SALT
Compound Number 75-SALT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H58N6O10
InChI InChI=1S/2C21H18N2O5.2C4H11N/c2*24-13-23-17-9-5-4-8-15(17)16-10-18(20(25)26)22(11-19(16)23)21(27)28-12-14-6-2-1-3-7-14;2*1-4(2,3)5/h2*1-9,13,18H,10-12H2,(H,25,26);2*5H2,1-3H3/t2*18-;;/m00../s1
InChIKey YFJZVWKSOGHXES-GQXSCEISSA-N
Literature Reference Author L.AURELIO,J.S.BOX,R.T.C.BROWNLEE,A.B.HUGHES,M.M.SLEEBS
Literature Reference Citation J.ORG.CHEM.,68,2652(2003)
Literature Reference DOI 10.1021/jo026722l
Molecular Weight 903.045 g/mol
Solvent CDCl3
Source File Reference UWLU27997