| SpectraBase Spectrum ID |
GzxakCrPHrK |
| Name |
L-Valine, N-neopentyloxycarbonyl-, 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/c1-12(2)9-8-10-21-15(19)14(13(3)4)18-16(20)22-11-17(5,6)7/h12-14H,8-11H2,1-7H3,(H,18,20) |
| InChIKey |
PAENCUJSHKBWQT-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
C(OC(C(NC(OCC(C)(C)C)=O)C(C)C)=O)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942037 |
