| SpectraBase Spectrum ID |
2CYj1EhqkLR |
| Name |
(2E)-2-(Dimethylaminomethylidene)-3-oxobutanoic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.136493473 u |
| Formula |
C11H19NO3 |
| InChI |
InChI=1S/C11H19NO3/c1-8(13)9(7-12(5)6)10(14)15-11(2,3)4/h7H,1-6H3/b9-7+ |
| InChIKey |
KJFFPNCTSYAOCU-VQHVLOKHSA-N |
| Molecular Weight |
213.277 g/mol |
| SMILES |
C(\C(C(C)=O)=C\N(C)C)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982535 |
