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N-(3,4-difluorobenzyl)-2-(1H-indol-3-yl)ethanamine oxalate

View entire compound with spectra: 2 NMR

N-(3,4-difluorobenzyl)-2-(1H-indol-3-yl)ethanamine oxalate
SpectraBase Compound ID 6TH6iIRI3bM
InChI InChI=1S/C17H16F2N2.C2H2O4/c18-15-6-5-12(9-16(15)19)10-20-8-7-13-11-21-17-4-2-1-3-14(13)17;3-1(4)2(5)6/h1-6,9,11,20-21H,7-8,10H2;(H,3,4)(H,5,6)
InChIKey JPQOAKCDMYHMEM-UHFFFAOYSA-N
Mol Weight 376.36 g/mol
Molecular Formula C19H18F2N2O4
Exact Mass 376.123463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1bl91Lg1YS
Name N-(3,4-Difluorobenzyl)-2-(1H-indol-3-yl)ethanamine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.123463390 u
Formula C19H18F2N2O4
InChI InChI=1S/C17H16F2N2.C2H2O4/c18-15-6-5-12(9-16(15)19)10-20-8-7-13-11-21-17-4-2-1-3-14(13)17;3-1(4)2(5)6/h1-6,9,11,20-21H,7-8,10H2;(H,3,4)(H,5,6)
InChIKey JPQOAKCDMYHMEM-UHFFFAOYSA-N
Molecular Weight 376.360 g/mol
SMILES OC(C(O)=O)=O.N1C2=C(C(CCNCC=3C=C(F)C(=CC3)F)=C1)C=CC=C2