| SpectraBase Compound ID | GwoMM82El5t |
|---|---|
| InChI | InChI=1S/C16H27NO3/c1-3-4-7-13-14(20-12(2)18)8-5-10-16(13)11-6-9-15(19)17-16/h13-14H,3-11H2,1-2H3,(H,17,19) |
| InChIKey | FFXYPPKTOWIOCX-UHFFFAOYSA-N |
| Mol Weight | 281.4 g/mol |
| Molecular Formula | C16H27NO3 |
| Exact Mass | 281.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L9HgM7GgQ2M |
|---|---|
| Name | Perhydro-htx-2-one, 2-depentyl-, acetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.199093730 u |
| Formula | C16H27NO3 |
| InChI | InChI=1S/C16H27NO3/c1-3-4-7-13-14(20-12(2)18)8-5-10-16(13)11-6-9-15(19)17-16/h13-14H,3-11H2,1-2H3,(H,17,19) |
| InChIKey | FFXYPPKTOWIOCX-UHFFFAOYSA-N |
| SMILES | C12(NC(CCC2)=O)CCCC(C1CCCC)OC(=O)C |