SpectraBase Spectrum ID |
Kcda0vSNPQV |
Name |
6-Aminocaproic acid, N-neopentyloxycarbonyl-, neopentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
315.240958543 u |
Formula |
C17H33NO4 |
InChI |
InChI=1S/C17H33NO4/c1-16(2,3)12-21-14(19)10-8-7-9-11-18-15(20)22-13-17(4,5)6/h7-13H2,1-6H3,(H,18,20) |
InChIKey |
BKSFEKUDMPEISF-UHFFFAOYSA-N |
Molecular Weight |
315.454 g/mol |
SMILES |
CC(COC(NCCCCCC(OCC(C)(C)C)=O)=O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981357 |