| SpectraBase Spectrum ID |
8NvEL2PdJdR |
| Name |
6-Bromo-7-[bis[diethylaminoethyl]amino]-1,4-benzodioxan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.183440345 u |
| Formula |
C20H34BrN3O2 |
| InChI |
InChI=1S/C20H34BrN3O2/c1-5-22(6-2)9-11-24(12-10-23(7-3)8-4)18-16-20-19(15-17(18)21)25-13-14-26-20/h15-16H,5-14H2,1-4H3 |
| InChIKey |
LEMQXTVTQUTFSO-UHFFFAOYSA-N |
| Molecular Weight |
428.415 g/mol |
| SMILES |
CCN(CC)CCN(CCN(CC)CC)C1=CC=2OCCOC2C=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909839 |
![6-Bromo-7-[bis[diethylaminoethyl]amino]-1,4-benzodioxan](/api/spectrum/8NvEL2PdJdR/structure.png?h=300&w=458 "6-Bromo-7-[bis[diethylaminoethyl]amino]-1,4-benzodioxan")
