| SpectraBase Spectrum ID |
4g5n6foGSg8 |
| Name |
L-Valine, N-neopentyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.209658414 u |
| Formula |
C15H29NO4 |
| InChI |
InChI=1S/C15H29NO4/c1-10(2)8-19-13(17)12(11(3)4)16-14(18)20-9-15(5,6)7/h10-12H,8-9H2,1-7H3,(H,16,18) |
| InChIKey |
BFLDTGOSBLDKKE-UHFFFAOYSA-N |
| SMILES |
C(COC(C(NC(OCC(C)(C)C)=O)C(C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978857 |
