| SpectraBase Compound ID | ERdMZWdyCJv |
|---|---|
| InChI | InChI=1S/C18H26ClNO3/c1-2-3-4-5-6-9-14-23-17(21)12-13-20-18(22)15-10-7-8-11-16(15)19/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,20,22) |
| InChIKey | KFPBBCBFEHVJHC-UHFFFAOYSA-N |
| Mol Weight | 339.86 g/mol |
| Molecular Formula | C18H26ClNO3 |
| Exact Mass | 339.160121 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 | 103OBkniRLq |
|---|---|
| Name | .beta.-Alanine, N-(2-chlorobenzoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.160121398 u |
| Formula | C18H26ClNO3 |
| InChI | InChI=1S/C18H26ClNO3/c1-2-3-4-5-6-9-14-23-17(21)12-13-20-18(22)15-10-7-8-11-16(15)19/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,20,22) |
| InChIKey | KFPBBCBFEHVJHC-UHFFFAOYSA-N |
| Molecular Weight | 339.863 g/mol |
| SMILES | C1=CC=CC(=C1C(NCCC(OCCCCCCCC)=O)=O)Cl |