| SpectraBase Spectrum ID |
5ISQ9JZ0GEW |
| Name |
phe-phe, N,N'-Dimethyl-N-ethoxycarbonyl-, methyl ester (isomer 2) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.215472069 u |
| Formula |
C24H30N2O5 |
| InChI |
InChI=1S/C24H30N2O5/c1-5-31-24(29)26(3)20(16-18-12-8-6-9-13-18)22(27)25(2)21(23(28)30-4)17-19-14-10-7-11-15-19/h6-15,20-21H,5,16-17H2,1-4H3 |
| InChIKey |
ORFBWGULEUXPEC-UHFFFAOYSA-N |
| Molecular Weight |
426.513 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(C(N(C(CC1=CC=CC=C1)C(OC)=O)C)=O)N(C)C(OCC)=O |
