| SpectraBase Spectrum ID |
F0t04sHFtJA |
| Name |
Valine, N-methyl-N-isobutoxycarbonyl-, pentyl 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/c1-7-8-9-10-20-15(18)14(13(4)5)17(6)16(19)21-11-12(2)3/h12-14H,7-11H2,1-6H3 |
| InChIKey |
QFWAKDZPZNYDFY-UHFFFAOYSA-N |
| SMILES |
CC(COC(N(C(C(OCCCCC)=O)C(C)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855135 |
