| SpectraBase Spectrum ID |
Gh225VAA5E4 |
| Name |
L-Isoleucine, N-benzyloxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.178358285 u |
| Formula |
C17H25NO4 |
| InChI |
InChI=1S/C17H25NO4/c1-4-11-21-16(19)15(13(3)5-2)18-17(20)22-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,18,20) |
| InChIKey |
REOXQINYPIQAFV-UHFFFAOYSA-N |
| Molecular Weight |
307.390 g/mol |
| SMILES |
C1=CC(=CC=C1)COC(NC(C(C)CC)C(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92705 |
