| SpectraBase Spectrum ID |
GfBcN5C4Dz3 |
| Name |
Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.157622840 u |
| Formula |
C17H23NO5 |
| InChI |
InChI=1S/C17H23NO5/c1-17(2,3)11-23-16(20)9-8-15(19)18-13-7-6-12(21-4)10-14(13)22-5/h6-10H,11H2,1-5H3,(H,18,19)/b9-8+ |
| InChIKey |
OWSNUCOKTSZCKY-CMDGGOBGSA-N |
| Molecular Weight |
321.373 g/mol |
| SMILES |
COC1=CC=C(C(OC)=C1)NC(\C=C\C(=O)OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905923 |
