| SpectraBase Compound ID | 4dotEH9tnFd |
|---|---|
| InChI | InChI=1S/C12H12N2O5/c13-5-6-19-11(16)10(14-12(17)18)7-8-1-3-9(15)4-2-8/h1-4,10,14-15H,6-7H2,(H,17,18) |
| InChIKey | VQLJNMJIJPZBHU-UHFFFAOYSA-N |
| Mol Weight | 264.24 g/mol |
| Molecular Formula | C12H12N2O5 |
| Exact Mass | 264.074621 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 | 3cM2twd65Ao |
|---|---|
| Name | Tyrosine, N-carboxy-, cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.074621489 u |
| Formula | C12H12N2O5 |
| InChI | InChI=1S/C12H12N2O5/c13-5-6-19-11(16)10(14-12(17)18)7-8-1-3-9(15)4-2-8/h1-4,10,14-15H,6-7H2,(H,17,18) |
| InChIKey | VQLJNMJIJPZBHU-UHFFFAOYSA-N |
| Molecular Weight | 264.237 g/mol |
| SMILES | C1=C(C=CC(=C1)O)CC(NC(O)=O)C(OCC#N)=O |