| SpectraBase Spectrum ID |
53PIEtGzLFh |
| Name |
L-Aspartic acid, N-(N-propyloxycarbonyl)-, C(1)-(N-propyl) ester, C(4)-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.136887394 u |
| Formula |
C12H21NO6 |
| InChI |
InChI=1S/C12H21NO6/c1-4-6-18-11(15)9(8-10(14)17-3)13-12(16)19-7-5-2/h9H,4-8H2,1-3H3,(H,13,16) |
| InChIKey |
MFEXQYNSAIAMEZ-UHFFFAOYSA-N |
| SMILES |
C(C(C(OCCC)=O)NC(OCCC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979871 |
