SpectraBase Spectrum ID |
C0wbFDxKnz0 |
Name |
4A-Morpholino hexahydrobiphenylene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
243.162314299 u |
Formula |
C16H21NO |
InChI |
InChI=1S/C16H21NO/c1-2-6-14-13(5-1)15-7-3-4-8-16(14,15)17-9-11-18-12-10-17/h1-2,5-6,15H,3-4,7-12H2 |
InChIKey |
ADEJGTOLTWFBBA-UHFFFAOYSA-N |
Molecular Weight |
243.350 g/mol |
SMILES |
C1=CC=C2C(=C1)C1(C2CCCC1)N1CCOCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840479 |