| SpectraBase Spectrum ID |
3CjMAG693Gh |
| Name |
L-Valine, N-pentafluorobenzoyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.120684256 u |
| Formula |
C16H18F5NO3 |
| InChI |
InChI=1S/C16H18F5NO3/c1-6(2)5-25-16(24)14(7(3)4)22-15(23)8-9(17)11(19)13(21)12(20)10(8)18/h6-7,14H,5H2,1-4H3,(H,22,23) |
| InChIKey |
UHCDBZBYCIDLSU-UHFFFAOYSA-N |
| Molecular Weight |
367.316 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1F)F)C(=O)NC(C(C)C)C(=O)OCC(C)C)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83716 |
