| SpectraBase Compound ID | JxFP0vupuxn |
|---|---|
| InChI | InChI=1S/C11H12ClN3O6/c12-9-2-1-7(14(9)19)10(16)13-6(11(17)18)3-5-4-8(5)15(20)21/h1-2,5-6,8,19H,3-4H2,(H,13,16)(H,17,18)/t5-,6+,8?/m1/s1 |
| InChIKey | PUKUMKAKFSQWDW-RSHNMJPRSA-N |
| Mol Weight | 317.69 g/mol |
| Molecular Formula | C11H12ClN3O6 |
| Exact Mass | 317.041463 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CUCSUhv7jee |
|---|---|
| Name | Chpca-(2S)-3-(Ncp)Ala-OH |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12ClN3O6 |
| InChI | InChI=1S/C11H12ClN3O6/c12-9-2-1-7(14(9)19)10(16)13-6(11(17)18)3-5-4-8(5)15(20)21/h1-2,5-6,8,19H,3-4H2,(H,13,16)(H,17,18)/t5-,6+,8?/m1/s1 |
| InChIKey | PUKUMKAKFSQWDW-RSHNMJPRSA-N |
| Molecular Weight | 317.685 g/mol |
| SMILES | O[n]1c(C(N[C@](C(=O)O)(C[C@]2(C(N(=O)=O)C2)[H])[H])=O)ccc1Cl |
| SPLASH | splash10-00kf-3903000000-732c3d00959173be6bf2 |
| Source of Spectrum | K1-2004-4501-34 |
| Wiley ID | 1561810 |