| SpectraBase Spectrum ID |
6R2AaV5XkVB |
| Name |
L-Valine, N-neopentyloxycarbonyl-, neopentyl 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)12(13(18)20-9-15(3,4)5)17-14(19)21-10-16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,19) |
| InChIKey |
UZOUMPVHQXVLHU-UHFFFAOYSA-N |
| SMILES |
C(COC(C(NC(OCC(C)(C)C)=O)C(C)C)=O)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859237 |
