| SpectraBase Spectrum ID |
45xYTDsFPpn |
| Name |
dl-Alanine, N-(1,2-dioxopropyl)-N-(2,4,6-trimethylphenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-9-7-10(2)14(11(3)8-9)17(15(19)13(5)18)12(4)16(20)21-6/h7-8,12H,1-6H3 |
| InChIKey |
ICDAGELHHONAAP-UHFFFAOYSA-N |
| SMILES |
C1(=C(C=C(C=C1C)C)C)N(C(=O)C(C)=O)C(C)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.937719 |
