| SpectraBase Spectrum ID |
CJ8UY1qtyeX |
| Name |
L-Asparagine, N-isopropyloxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.105921618 u |
| Formula |
C9H16N2O5 |
| InChI |
InChI=1S/C9H16N2O5/c1-5(2)16-9(14)11-6(4-7(10)12)8(13)15-3/h5-6H,4H2,1-3H3,(H2,10,12)(H,11,14) |
| InChIKey |
GNKCSBLYAYWKGD-UHFFFAOYSA-N |
| Molecular Weight |
232.236 g/mol |
| SMILES |
C(=O)(OC)C(NC(OC(C)C)=O)CC(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954193 |
