| SpectraBase Spectrum ID |
4HwLIHd1jod |
| Name |
L-Alanine, N-benzyloxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.147058156 u |
| Formula |
C15H21NO4 |
| InChI |
InChI=1S/C15H21NO4/c1-3-4-10-19-14(17)12(2)16-15(18)20-11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,16,18)/t12-/m0/s1 |
| InChIKey |
NGNFMKOLTTXJDB-LBPRGKRZSA-N |
| Molecular Weight |
279.336 g/mol |
| SMILES |
CCCCOC([C@@](NC(OCC1=CC=CC=C1)=O)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830318 |
