| SpectraBase Spectrum ID |
Dvthx6woxST |
| Name |
Fumaric acid, monoamide, N-(2-ethylphenyl)-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.136493473 u |
| Formula |
C15H19NO3 |
| InChI |
InChI=1S/C15H19NO3/c1-4-12-7-5-6-8-13(12)16-14(17)9-10-15(18)19-11(2)3/h5-11H,4H2,1-3H3,(H,16,17)/b10-9+ |
| InChIKey |
VLCIZJOPVOGLQB-MDZDMXLPSA-N |
| Molecular Weight |
261.321 g/mol |
| SMILES |
CCC=1C(NC(\C=C\C(=O)OC(C)C)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829497 |
