| SpectraBase Spectrum ID |
dug5o4yhoY |
| Name |
Valine, N-methyl-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/c1-11(2)9-20-14(18)13(12(3)4)17(8)15(19)21-10-16(5,6)7/h11-13H,9-10H2,1-8H3 |
| InChIKey |
OOAQMKBDUYOPCY-UHFFFAOYSA-N |
| SMILES |
CC(COC(N(C(C(OCC(C)C)=O)C(C)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926056 |
