| SpectraBase Spectrum ID |
IfzgZhFByh4 |
| Name |
N,N-bis(4-Bromobenzyl)-1-(3,4-difluoromethylenedioxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
565.006361309 u |
| Formula |
C25H23Br2F2NO2 |
| InChI |
InChI=1S/C25H23Br2F2NO2/c1-2-22(13-19-7-12-23-24(14-19)32-25(28,29)31-23)30(15-17-3-8-20(26)9-4-17)16-18-5-10-21(27)11-6-18/h3-12,14,22H,2,13,15-16H2,1H3 |
| InChIKey |
OEGJJXWWFAELBU-UHFFFAOYSA-N |
| Molecular Weight |
567.269 g/mol |
| SMILES |
C1(OC=2C(O1)=CC(CC(N(CC=1C=CC(=CC1)Br)CC1=CC=C(C=C1)Br)CC)=CC2)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884556 |
