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METHYL_5-(2-ACETOXYETHYL)-3-ACETYL-1,2,5,6-TETRAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
SpectraBase Compound ID YKVIqgQs3y
InChI InChI=1S/C22H24N2O5/c1-13(25)17-12-23(8-9-29-14(2)26)19-11-16(17)21(22(27)28-3)24-18-7-5-4-6-15(18)10-20(19)24/h4-7,10,12,16,19,21H,8-9,11H2,1-3H3/t16-,19-,21+/m0/s1
InChIKey BZIINJWPVUIYGN-NBHGPNQESA-N
Mol Weight 396.44 g/mol
Molecular Formula C22H24N2O5
Exact Mass 396.168522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bs03xT6VUDk
Name METHYL_5-(2-ACETOXYETHYL)-3-ACETYL-1,2,5,6-TETRAHYDRO-2,6-METHANO-[1.4]-DIAZOCINO-[1.2-A]-INDOLE-1-ALPHA-CARBOXYLATE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24N2O5
InChI InChI=1S/C22H24N2O5/c1-13(25)17-12-23(8-9-29-14(2)26)19-11-16(17)21(22(27)28-3)24-18-7-5-4-6-15(18)10-20(19)24/h4-7,10,12,16,19,21H,8-9,11H2,1-3H3/t16-,19-,21+/m0/s1
InChIKey BZIINJWPVUIYGN-NBHGPNQESA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,J.M.JIMENEZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,58,7756(1993)
Literature Reference DOI 10.1021/jo00079a021
Molecular Weight 396.443 g/mol
Solvent CDCl3
Source File Reference UWMZ2002