| SpectraBase Spectrum ID |
EBafjtZJ3cZ |
| Name |
6-Aminocaproic acid, N-neopentyloxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.209658414 u |
| Formula |
C15H29NO4 |
| InChI |
InChI=1S/C15H29NO4/c1-5-11-19-13(17)9-7-6-8-10-16-14(18)20-12-15(2,3)4/h5-12H2,1-4H3,(H,16,18) |
| InChIKey |
JTHVQZVJLFALDH-UHFFFAOYSA-N |
| SMILES |
CC(COC(NCCCCCC(OCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92673 |
