| SpectraBase Spectrum ID |
GdxiALoK3sU |
| Name |
phe-phe, N-Isopropoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.199822005 u |
| Formula |
C23H28N2O5 |
| InChI |
InChI=1S/C23H28N2O5/c1-16(2)30-23(28)25-19(14-17-10-6-4-7-11-17)21(26)24-20(22(27)29-3)15-18-12-8-5-9-13-18/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,28) |
| InChIKey |
UMOIWHOPBHCUNB-UHFFFAOYSA-N |
| Molecular Weight |
412.486 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(C(NC(CC1=CC=CC=C1)C(=O)OC)=O)NC(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829886 |
