SpectraBase Spectrum ID |
G6uQZDlZS5y |
Name |
1-Butyl-3,6-diazatricyclo[4.3.1.1(3,8)]undecan-9-amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
223.204847817 u |
Formula |
C13H25N3 |
InChI |
InChI=1S/C13H25N3/c1-2-3-4-13-9-15-5-6-16(10-13)8-11(7-15)12(13)14/h11-12H,2-10,14H2,1H3/t11-,12?,13+ |
InChIKey |
VLJBOAUQMHQCPH-ZIHWECLZSA-N |
Molecular Weight |
223.364 g/mol |
SMILES |
C1[C@]2(CN3C[C@](C2N)(CN1CC3)CCCC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837491 |