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(Phenylmethyl) 1-(2-oxidanylideneethyl)-1,3,4,9-tetrahydropyrido[3,4-B]indole-2-carboxylate

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(Phenylmethyl) 1-(2-oxidanylideneethyl)-1,3,4,9-tetrahydropyrido[3,4-B]indole-2-carboxylate
SpectraBase Compound ID HzFjwehmtYG
InChI InChI=1S/C21H20N2O3/c24-13-11-19-20-17(16-8-4-5-9-18(16)22-20)10-12-23(19)21(25)26-14-15-6-2-1-3-7-15/h1-9,13,19,22H,10-12,14H2
InChIKey ZXBDYGQNULRVLI-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qv0ESolvll
Name (Phenylmethyl) 1-(2-oxidanylideneethyl)-1,3,4,9-tetrahydropyrido[3,4-B]indole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.147392509 u
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c24-13-11-19-20-17(16-8-4-5-9-18(16)22-20)10-12-23(19)21(25)26-14-15-6-2-1-3-7-15/h1-9,13,19,22H,10-12,14H2
InChIKey ZXBDYGQNULRVLI-UHFFFAOYSA-N
Molecular Weight 348.402 g/mol
SMILES C1(N(CCC=2C=3C=CC=CC3NC12)C(=O)OCC=1C=CC=CC1)CC=O