SpectraBase Spectrum ID |
63qjMTBbI1u |
Name |
Benzyl amine, N-bi[8-bromooctyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
487.144926260 u |
Formula |
C23H39Br2N |
InChI |
InChI=1S/C23H39Br2N/c24-18-12-5-1-3-7-14-20-26(22-23-16-10-9-11-17-23)21-15-8-4-2-6-13-19-25/h9-11,16-17H,1-8,12-15,18-22H2 |
InChIKey |
GCIPWGXSVCTYSK-UHFFFAOYSA-N |
Molecular Weight |
489.380 g/mol |
SMILES |
C1(=CC=CC=C1)CN(CCCCCCCCBr)CCCCCCCCBr |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900898 |