| SpectraBase Spectrum ID |
9CCU95RkU12 |
| Name |
N,N'-Dimethyl-7,13-diaza-1,4,10-trioxa-2,3-(4'-bromobenzo)cyclopentadec-2-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.104855670 u |
| Formula |
C16H25BrN2O3 |
| InChI |
InChI=1S/C16H25BrN2O3/c1-18-5-9-20-10-6-19(2)8-12-22-16-13-14(17)3-4-15(16)21-11-7-18/h3-4,13H,5-12H2,1-2H3 |
| InChIKey |
OOXMWLPJXZNTQB-UHFFFAOYSA-N |
| Molecular Weight |
373.291 g/mol |
| SMILES |
C12=CC(Br)=CC=C2OCCN(CCOCCN(CCO1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949073 |
