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7-BENZYLOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER-HYDROCHLORIDE
SpectraBase Compound ID 6R2IbOUbz5C
InChI InChI=1S/C21H22N2O3.ClH/c1-2-25-21(24)20-15-10-11-22-12-16-18(9-8-17(23-20)19(15)16)26-13-14-6-4-3-5-7-14;/h3-9,22-23H,2,10-13H2,1H3;1H
InChIKey SJXFTUAHBITGTG-UHFFFAOYSA-N
Mol Weight 386.88 g/mol
Molecular Formula C21H23ClN2O3
Exact Mass 386.13972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hgh6T6cUfY3
Name 7-BENZYLOXY-3,4,5,6-TETRAHYDRO-1H-AZEPINO-[5,4,3-CD]-INDOLE-2-CARBOXYLIC-ACID-ETHYLESTER-HYDROCHLORIDE
Compound Number 9E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23ClN2O3
InChI InChI=1S/C21H22N2O3.ClH/c1-2-25-21(24)20-15-10-11-22-12-16-18(9-8-17(23-20)19(15)16)26-13-14-6-4-3-5-7-14;/h3-9,22-23H,2,10-13H2,1H3;1H
InChIKey SJXFTUAHBITGTG-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 386.878 g/mol
Solvent DMSO-D6
Source File Reference UWCP4717