| SpectraBase Spectrum ID |
7IfNqZVsxcx |
| Name |
6-Aminocaproic acid, N-neopentyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.225308478 u |
| Formula |
C16H31NO4 |
| InChI |
InChI=1S/C16H31NO4/c1-13(2)11-20-14(18)9-7-6-8-10-17-15(19)21-12-16(3,4)5/h13H,6-12H2,1-5H3,(H,17,19) |
| InChIKey |
RNECSAVMWILWKZ-UHFFFAOYSA-N |
| SMILES |
CC(COC(NCCCCCC(OCC(C)C)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916902 |
