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5-ACETYL-7-ETHOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
SpectraBase Compound ID IztCnXmRJTI
InChI InChI=1S/C18H22N2O4/c1-4-23-15-7-6-14-16-12(17(19-14)18(22)24-5-2)8-9-20(11(3)21)10-13(15)16/h6-7,19H,4-5,8-10H2,1-3H3
InChIKey KJGITDOQKXTRCS-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmzacHxpxA
Name 5-ACETYL-7-ETHOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER;MAJOR-ROTAMER
Compound Number 10I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-4-23-15-7-6-14-16-12(17(19-14)18(22)24-5-2)8-9-20(11(3)21)10-13(15)16/h6-7,19H,4-5,8-10H2,1-3H3
InChIKey KJGITDOQKXTRCS-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 330.384 g/mol
Solvent DMSO-D6
Source File Reference UWCP4721