| SpectraBase Compound ID | 6YWR6T9PrI7 |
|---|---|
| InChI | InChI=1S/C16H24ClNO/c1-3-5-6-7-16(19)18-15(4-2)12-13-8-10-14(17)11-9-13/h8-11,15H,3-7,12H2,1-2H3,(H,18,19) |
| InChIKey | BRVJLWHXICJCRU-UHFFFAOYSA-N |
| Mol Weight | 281.83 g/mol |
| Molecular Formula | C16H24ClNO |
| Exact Mass | 281.154642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68vQdDeouHP |
|---|---|
| Name | 4-cab hex |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.154642096 u |
| Formula | C16H24ClNO |
| InChI | InChI=1S/C16H24ClNO/c1-3-5-6-7-16(19)18-15(4-2)12-13-8-10-14(17)11-9-13/h8-11,15H,3-7,12H2,1-2H3,(H,18,19) |
| InChIKey | BRVJLWHXICJCRU-UHFFFAOYSA-N |
| SMILES | C(NC(CCCCC)=O)(CC1=CC=C(C=C1)Cl)CC |