| SpectraBase Spectrum ID |
9rIxPrT4CgE |
| Name |
Acetamido(p-pivaloylbenzyl)malonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.199487652 u |
| Formula |
C21H29NO6 |
| InChI |
InChI=1S/C21H29NO6/c1-7-27-18(25)21(22-14(3)23,19(26)28-8-2)13-15-9-11-16(12-10-15)17(24)20(4,5)6/h9-12H,7-8,13H2,1-6H3,(H,22,23) |
| InChIKey |
AFFQCYQASNCEEI-UHFFFAOYSA-N |
| Molecular Weight |
391.464 g/mol |
| SMILES |
N(C(CC1=CC=C(C=C1)C(C(C)(C)C)=O)(C(=O)OCC)C(OCC)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.833945 |
