| SpectraBase Compound ID | 76aZN3iYXGC |
|---|---|
| InChI | InChI=1S/C14H26ClNO3/c1-11(2)7-6-10-19-14(18)12(3)16-13(17)8-4-5-9-15/h11-12H,4-10H2,1-3H3,(H,16,17) |
| InChIKey | GNZLWQRTBQAPBZ-UHFFFAOYSA-N |
| Mol Weight | 291.82 g/mol |
| Molecular Formula | C14H26ClNO3 |
| Exact Mass | 291.160121 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 | 5waJbNXHapy |
|---|---|
| Name | D-Alanine, N-(5-chlorovaleryl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.160121398 u |
| Formula | C14H26ClNO3 |
| InChI | InChI=1S/C14H26ClNO3/c1-11(2)7-6-10-19-14(18)12(3)16-13(17)8-4-5-9-15/h11-12H,4-10H2,1-3H3,(H,16,17) |
| InChIKey | GNZLWQRTBQAPBZ-UHFFFAOYSA-N |
| SMILES | CC(NC(=O)CCCCCl)C(OCCCC(C)C)=O |