SpectraBase Compound ID | HJDHQR393QT |
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InChI | InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1 |
InChIKey | JRHPOFJADXHYBR-YUMQZZPRSA-N |
Mol Weight | 142.25 g/mol |
Molecular Formula | C8H18N2 |
Exact Mass | 142.146999 g/mol |
SpectraBase Spectrum ID | LeE4ysvCbwd |
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Name | (1S,2S)-(+)-trans-1,2-bis(methylamino)cyclohexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.146998588 u |
Formula | C8H18N2 |
InChI | InChI=1S/C8H18N2/c1-9-7-5-3-4-6-8(7)10-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1 |
InChIKey | JRHPOFJADXHYBR-YUMQZZPRSA-N |
Molecular Weight | 142.246 g/mol |
SMILES | N([C@@]1([C@](CCCC1)(NC)[H])[H])C |
Spectrum/Structure Validation Score (Raman) | 0.965068 |