| SpectraBase Spectrum ID |
GWXhU1IPKDK |
| Name |
N-Carboxy-L-alanine, N-tert-butyl o-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.116486302 u |
| Formula |
C14H18N2O6 |
| InChI |
InChI=1S/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-8-6-5-7-10(11)16(19)20/h5-9H,1-4H3,(H,15,18) |
| InChIKey |
HTOLGALQDYWXST-UHFFFAOYSA-N |
| SMILES |
N(=O)(=O)C=1C=CC=CC1OC(C(NC(OC(C)(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.910455 |
