| SpectraBase Compound ID | BfwNV11mY4J |
|---|---|
| InChI | InChI=1S/C14H18O/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2/t13-,14-/m0/s1 |
| InChIKey | LQGLWHHDBPFDGD-KBPBESRZSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1L0ZdNOd7NU |
|---|---|
| Name | Cyclohexaneacetaldehyde, 2-phenyl-, trans- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-3,6-7,11,13-14H,4-5,8-10H2/t13-,14-/m0/s1 |
| InChIKey | LQGLWHHDBPFDGD-KBPBESRZSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | [C@@]1(C=2C=CC=CC2)([C@](CC=O)(CCCC1)[H])[H] |