| SpectraBase Spectrum ID |
FuOBMWQnXxj |
| Name |
Alanine, N-methyl-N-neopentyloxycarbonyl-, neopentyl 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/c1-11(12(17)19-9-14(2,3)4)16(8)13(18)20-10-15(5,6)7/h11H,9-10H2,1-8H3 |
| InChIKey |
ZTODDVBVDHAFKB-UHFFFAOYSA-N |
| SMILES |
CC(COC(=O)N(C(C)C(OCC(C)(C)C)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957784 |
