| SpectraBase Spectrum ID |
LhUfqpJWWQ3 |
| Name |
L-Alanine, N-neopentyloxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.162708221 u |
| Formula |
C12H23NO4 |
| InChI |
InChI=1S/C12H23NO4/c1-6-7-16-10(14)9(2)13-11(15)17-8-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)/t9-/m0/s1 |
| InChIKey |
HYHXNYJKDDMPEP-VIFPVBQESA-N |
| Molecular Weight |
245.319 g/mol |
| SMILES |
CCCOC([C@@](NC(OCC(C)(C)C)=O)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872776 |
