SpectraBase Compound ID | JRoFIOFyNre |
---|---|
InChI | InChI=1S/C12H21N/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)13/h10-12H,1-9H2 |
InChIKey | AKZWVYMBROVFEJ-UHFFFAOYSA-N |
Mol Weight | 179.31 g/mol |
Molecular Formula | C12H21N |
Exact Mass | 179.1674 g/mol |
SpectraBase Spectrum ID | fS5NgDcSe |
---|---|
Name | 7-Cyclohexyl-7-azabicyclo[4.1.0]heptane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.167399680 u |
Formula | C12H21N |
InChI | InChI=1S/C12H21N/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)13/h10-12H,1-9H2 |
InChIKey | AKZWVYMBROVFEJ-UHFFFAOYSA-N |
Molecular Weight | 179.307 g/mol |
SMILES | C1(CCCCC1)N1C2CCCCC12 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984649 |