| SpectraBase Spectrum ID |
AtGbc4HqcEV |
| Name |
N-Phthaloyl-.beta.-hydroxyvaline methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.095022582 u |
| Formula |
C14H15NO5 |
| InChI |
InChI=1S/C14H15NO5/c1-14(2,19)10(13(18)20-3)15-11(16)8-6-4-5-7-9(8)12(15)17/h4-7,10,19H,1-3H3/t10-/m1/s1 |
| InChIKey |
AULXCSWUKDYWRB-SNVBAGLBSA-N |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)[C@](C(=O)OC)(C(O)(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896285 |
