John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=LbvQLUyIuI8 SpectraBase Spectrum ID=27qYM8pQmBM

(accessed ).
5-ACETYL-7-NONYLOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
SpectraBase Compound ID LbvQLUyIuI8
InChI InChI=1S/C25H36N2O4/c1-4-6-7-8-9-10-11-16-31-22-13-12-21-23-19(24(26-21)25(29)30-5-2)14-15-27(18(3)28)17-20(22)23/h12-13,26H,4-11,14-17H2,1-3H3
InChIKey CXHLNADTUAMTFP-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C25H36N2O4
Exact Mass 428.267508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27qYM8pQmBM
Name 5-ACETYL-7-NONYLOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MINOR-ROTAMER
Compound Number 10L
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36N2O4
InChI InChI=1S/C25H36N2O4/c1-4-6-7-8-9-10-11-16-31-22-13-12-21-23-19(24(26-21)25(29)30-5-2)14-15-27(18(3)28)17-20(22)23/h12-13,26H,4-11,14-17H2,1-3H3
InChIKey CXHLNADTUAMTFP-UHFFFAOYSA-N
Literature Reference Author L.NOVAK,M.HANANIA,P.KOVACS,J.ROHALY,P.KOLONITS,C.SZANTAY
Literature Reference Citation HETEROCYCLES,45,2331(1997)
Literature Reference DOI 10.3987/COM-97-7918
Molecular Weight 428.572 g/mol
Solvent CDCl3
Source File Reference UWCP4729
SpectraBase Batch ID HH9MSKUpbkA