| SpectraBase Spectrum ID |
G4cLLODqopq |
| Name |
Valine, N-methyl-N-neopentyloxycarbonyl-, propyl 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/c1-8-9-19-13(17)12(11(2)3)16(7)14(18)20-10-15(4,5)6/h11-12H,8-10H2,1-7H3 |
| InChIKey |
XHZGTWUWUXQHIR-UHFFFAOYSA-N |
| SMILES |
CC(COC(N(C(C(OCCC)=O)C(C)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878722 |
