SpectraBase Compound ID | CIYBTqdGBQL |
---|---|
InChI | InChI=1S/C7H17NO/c1-6(2)8-7(3)4-5-9/h6-9H,4-5H2,1-3H3 |
InChIKey | HOMIABLVBZOOJM-UHFFFAOYSA-N |
Mol Weight | 131.22 g/mol |
Molecular Formula | C7H17NO |
Exact Mass | 131.131014 g/mol |
SpectraBase Spectrum ID | 4FPt3UsuYhm |
---|---|
Name | 3-(Isopropylamino)butan-1-ol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 131.131014170 u |
Formula | C7H17NO |
InChI | InChI=1S/C7H17NO/c1-6(2)8-7(3)4-5-9/h6-9H,4-5H2,1-3H3 |
InChIKey | HOMIABLVBZOOJM-UHFFFAOYSA-N |
Molecular Weight | 131.219 g/mol |
SMILES | C(NC(C)C)(CCO)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871268 |