| SpectraBase Spectrum ID |
IT1FjYmaIXA |
| Name |
dl-N-Tert-butoxycarbonylaspartic acid .beta.-semialdehyde p-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.152537459 u |
| Formula |
C17H23NO6 |
| InChI |
InChI=1S/C17H23NO6/c1-17(2,3)24-16(21)18-14(9-10-19)15(20)23-11-12-5-7-13(22-4)8-6-12/h5-8,10,14H,9,11H2,1-4H3,(H,18,21) |
| InChIKey |
YMTRBNPEVKMBOM-UHFFFAOYSA-N |
| Molecular Weight |
337.372 g/mol |
| SMILES |
C(NC(C(OCC1=CC=C(C=C1)OC)=O)CC=O)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859735 |
