| SpectraBase Spectrum ID |
9kAU0DMKxSp |
| Name |
(R)-Ethyl 3-(N-benzoylamino)pentanoate |
| 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/c1-3-12(10-13(16)18-4-2)15-14(17)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)/t12-/m1/s1 |
| InChIKey |
IFLMPDFHYXFXDM-GFCCVEGCSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C(N[C@@](CC(=O)OCC)(CC)[H])(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937773 |
