| SpectraBase Spectrum ID |
DGGJoG5jnU7 |
| Name |
Oxalic acid, monoamide, N-(2-phenylethyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-11(2)10-18-14(17)13(16)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,15,16) |
| InChIKey |
SAHNSTCZCFYJIG-UHFFFAOYSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C(C(OCC(C)C)=O)(=O)NCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878927 |
