For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(benzo[d][1,3]dioxol-5-yl)-N-(3-bromobenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate

View entire compound with spectra: 2 NMR

2-(benzo[d][1,3]dioxol-5-yl)-N-(3-bromobenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate
SpectraBase Compound ID 6bHQfeOIv8i
InChI InChI=1S/C25H26BrNO3.C2H2O4/c1-2-28-23-9-6-20(7-10-23)16-27(17-21-4-3-5-22(26)14-21)13-12-19-8-11-24-25(15-19)30-18-29-24;3-1(4)2(5)6/h3-11,14-15H,2,12-13,16-18H2,1H3;(H,3,4)(H,5,6)
InChIKey JVGAHTBVYCVDCU-UHFFFAOYSA-N
Mol Weight 558.43 g/mol
Molecular Formula C27H28BrNO7
Exact Mass 557.104915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID COI5FSXe4i0
Name 2-(Benzo[D][1,3]dioxol-5-yl)-N-(3-bromobenzyl)-N-(4-ethoxybenzyl)ethanamine oxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.104915239 u
Formula C27H28BrNO7
InChI InChI=1S/C25H26BrNO3.C2H2O4/c1-2-28-23-9-6-20(7-10-23)16-27(17-21-4-3-5-22(26)14-21)13-12-19-8-11-24-25(15-19)30-18-29-24;3-1(4)2(5)6/h3-11,14-15H,2,12-13,16-18H2,1H3;(H,3,4)(H,5,6)
InChIKey JVGAHTBVYCVDCU-UHFFFAOYSA-N
Molecular Weight 558.425 g/mol
SMILES OC(C(O)=O)=O.C12=C(OCO2)C=CC(=C1)CCN(CC=1C=C(Br)C=CC1)CC1=CC=C(C=C1)OCC