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(+-)-5-[2-(7-Methoxyindol-3-yl)ethyl]-2,3,3a.beta.,6,7,7a.beta.-hexahydrofuro[3,2-c]pyridin-4(5H)-one
SpectraBase Compound ID Bfqt4x5VtfQ
InChI InChI=1S/C18H22N2O3/c1-22-16-4-2-3-13-12(11-19-17(13)16)5-8-20-9-6-15-14(18(20)21)7-10-23-15/h2-4,11,14-15,19H,5-10H2,1H3/t14-,15-/m1/s1
InChIKey QHISEYRLTNMMQC-HUUCEWRRSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JohX671hC1P
Name (+-)-5-[2-(7-methoxyindol-3-yl)ethyl]-2,3,3A.beta.,6,7,7A.beta.-hexahydrofuro[3,2-C]pyridin-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.163042573 u
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-22-16-4-2-3-13-12(11-19-17(13)16)5-8-20-9-6-15-14(18(20)21)7-10-23-15/h2-4,11,14-15,19H,5-10H2,1H3/t14-,15-/m1/s1
InChIKey QHISEYRLTNMMQC-HUUCEWRRSA-N
Molecular Weight 314.385 g/mol
SMILES C1([C@]2([C@@](CCN1CCC=1C3=C(C(OC)=CC=C3)NC1)(OCC2)[H])[H])=O