| SpectraBase Compound ID | 1UI2H9vohCg |
|---|---|
| InChI | InChI=1S/C12H24/c1-3-4-5-6-7-8-9-12-10-11(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | BMCICASJEGCJIS-VXGBXAGGSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uvtFRWOfS3 |
|---|---|
| Name | (Trans)-1-methyl-2-octylcyclopropane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-3-4-5-6-7-8-9-12-10-11(12)2/h11-12H,3-10H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey | BMCICASJEGCJIS-VXGBXAGGSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C1[C@@](C)([C@@]1(CCCCCCCC)[H])[H] |