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5-FORMYL-7-METHOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
SpectraBase Compound ID 3xUC2zIIB3W
InChI InChI=1S/C16H18N2O4/c1-3-22-16(20)15-10-6-7-18(9-19)8-11-13(21-2)5-4-12(17-15)14(10)11/h4-5,9,17H,3,6-8H2,1-2H3
InChIKey XJBHARJCOBRQQT-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHDqhiKIeX4
Name 5-FORMYL-7-METHOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-3-22-16(20)15-10-6-7-18(9-19)8-11-13(21-2)5-4-12(17-15)14(10)11/h4-5,9,17H,3,6-8H2,1-2H3
InChIKey XJBHARJCOBRQQT-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 302.330 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWCP4718