| SpectraBase Spectrum ID |
1NPUGNTMRbd |
| Name |
N-[4-Bromophenyl(tetrahydrofuran-2-yl)methyl]-N-(4-methoxyphenyl)amine isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.067741886 u |
| Formula |
C18H20BrNO2 |
| InChI |
InChI=1S/C18H20BrNO2/c1-21-16-10-8-15(9-11-16)20-18(17-3-2-12-22-17)13-4-6-14(19)7-5-13/h4-11,17-18,20H,2-3,12H2,1H3 |
| InChIKey |
HNBQEGQOVMWVOI-UHFFFAOYSA-N |
| Molecular Weight |
362.267 g/mol |
| SMILES |
C(NC=1C=CC(=CC1)OC)(C1=CC=C(C=C1)Br)C1OCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82212 |
![N-[4-Bromophenyl(tetrahydrofuran-2-yl)methyl]-N-(4-methoxyphenyl)amine isomer](/api/spectrum/1NPUGNTMRbd/structure.png?h=300&w=458 "N-[4-Bromophenyl(tetrahydrofuran-2-yl)methyl]-N-(4-methoxyphenyl)amine isomer")
