| SpectraBase Spectrum ID |
8D1H8oldMFo |
| Name |
6-Aminocaproic acid, 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/c1-2-13-21-16(19)11-7-4-8-12-18-17(20)22-14-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,18,20) |
| InChIKey |
FANXKJKXVPCYPX-UHFFFAOYSA-N |
| Molecular Weight |
307.390 g/mol |
| SMILES |
C1=CC=CC(=C1)COC(NCCCCCC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847672 |
