| SpectraBase Spectrum ID |
8O4Ya54Fvjc |
| Name |
L-Norleucine, N-neopentyloxycarbonyl-, neopentyl 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/c1-8-9-10-13(14(19)21-11-16(2,3)4)18-15(20)22-12-17(5,6)7/h13H,8-12H2,1-7H3,(H,18,20) |
| InChIKey |
VHPQVGKPTWXSAV-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
C(OC(C(NC(OCC(C)(C)C)=O)CCCC)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834574 |
