| SpectraBase Spectrum ID |
5kcKPIIwADc |
| Name |
L-Alanine, N-neopentyloxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.147058156 u |
| Formula |
C11H21NO4 |
| InChI |
InChI=1S/C11H21NO4/c1-6-15-9(13)8(2)12-10(14)16-7-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)/t8-/m0/s1 |
| InChIKey |
SNWAWMRCPYNZLI-QMMMGPOBSA-N |
| Molecular Weight |
231.292 g/mol |
| SMILES |
CC(C)(C)COC(N[C@](C(OCC)=O)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899895 |
