| SpectraBase Spectrum ID |
KhO8pRL8Gog |
| Name |
Aspartame, N-isopropyloxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.174001178 u |
| Formula |
C19H26N2O7 |
| InChI |
InChI=1S/C19H26N2O7/c1-12(2)28-19(25)21-14(11-16(22)26-3)17(23)20-15(18(24)27-4)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3,(H,20,23)(H,21,25) |
| InChIKey |
JARMLYKPQZHAEE-UHFFFAOYSA-N |
| Molecular Weight |
394.424 g/mol |
| SMILES |
C1=CC=CC=C1CC(NC(=O)C(NC(OC(C)C)=O)CC(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956477 |
