SpectraBase Spectrum ID |
BhYFrWzSLfC |
Name |
[(1R,3R)-3-(2-Aminoethyl)-2,2-dimethyl-cyclobutyl]methanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
157.146664235 u |
Formula |
C9H19NO |
InChI |
InChI=1S/C9H19NO/c1-9(2)7(3-4-10)5-8(9)6-11/h7-8,11H,3-6,10H2,1-2H3/t7-,8-/m0/s1 |
InChIKey |
AMWUPBZWMLHXJX-YUMQZZPRSA-N |
Molecular Weight |
157.257 g/mol |
SMILES |
C1([C@](CO)(C[C@@]1(CCN)[H])[H])(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973931 |