| SpectraBase Compound ID | JM4YMSIj2ly |
|---|---|
| InChI | InChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18) |
| InChIKey | LNWWNMMMEIYEDE-UHFFFAOYSA-N |
| Mol Weight | 283.41 g/mol |
| Molecular Formula | C16H29NO3 |
| Exact Mass | 283.214744 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 | 75EaPAWlqDd |
|---|---|
| Name | .beta.-Alanine, N-(cyclopentylpropionyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.214743795 u |
| Formula | C16H29NO3 |
| InChI | InChI=1S/C16H29NO3/c1-2-3-6-13-20-16(19)11-12-17-15(18)10-9-14-7-4-5-8-14/h14H,2-13H2,1H3,(H,17,18) |
| InChIKey | LNWWNMMMEIYEDE-UHFFFAOYSA-N |
| SMILES | C1(CCCC1)CCC(NCCC(OCCCCC)=O)=O |