| SpectraBase Compound ID | 3YTFY3c5DFu |
|---|---|
| InChI | InChI=1S/C16H32/c1-3-4-5-6-7-8-9-13-16-14-11-10-12-15(16)2/h15-16H,3-14H2,1-2H3 |
| InChIKey | NNRYWSQJYMAUCA-UHFFFAOYSA-N |
| Mol Weight | 224.4 g/mol |
| Molecular Formula | C16H32 |
| Exact Mass | 224.250401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DADz1J2Qtm |
|---|---|
| Name | Trans-1-methyl-2-nonyl-cyclohexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.250401030 u |
| Formula | C16H32 |
| InChI | InChI=1S/C16H32/c1-3-4-5-6-7-8-9-13-16-14-11-10-12-15(16)2/h15-16H,3-14H2,1-2H3 |
| InChIKey | NNRYWSQJYMAUCA-UHFFFAOYSA-N |
| Molecular Weight | 224.432 g/mol |
| SMILES | C1C(C(CCC1)C)CCCCCCCCC |