| SpectraBase Spectrum ID |
6KIdJByqjNS |
| Name |
Valine, N-methyl-N-butoxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.240958543 u |
| Formula |
C17H33NO4 |
| InChI |
InChI=1S/C17H33NO4/c1-7-8-11-22-17(20)18(6)15(14(4)5)16(19)21-12-9-10-13(2)3/h13-15H,7-12H2,1-6H3 |
| InChIKey |
UPUJNTBTVSMWCV-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
CCCCOC(N(C(C(OCCCC(C)C)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894838 |
