SpectraBase Compound ID | LnbsTnvK8B1 |
---|---|
InChI | InChI=1S/C18H35N3/c1-3-7-17(8-4-1)19-11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h17-19H,1-16H2 |
InChIKey | OHAJKDFGMATHPP-UHFFFAOYSA-N |
Mol Weight | 293.5 g/mol |
Molecular Formula | C18H35N3 |
Exact Mass | 293.283098 g/mol |
SpectraBase Spectrum ID | 2bJWfLAc1co |
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Name | 1-(2-Cyclohexylaminoethyl)-4-cyclohexylpiperazine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 293.283098139 u |
Formula | C18H35N3 |
InChI | InChI=1S/C18H35N3/c1-3-7-17(8-4-1)19-11-12-20-13-15-21(16-14-20)18-9-5-2-6-10-18/h17-19H,1-16H2 |
InChIKey | OHAJKDFGMATHPP-UHFFFAOYSA-N |
SMILES | C1(N2CCN(CC2)CCNC2CCCCC2)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974952 |